Fix the CI regression logging; make Julia optional via environment and module variables. by rwest · Pull Request #2802 · ReactionMechanismGenerator/RMG-Py

rwest · 2025-06-02T15:44:26Z

Motivation or Problem

Commit 60c4125 recently tweaked this and introduced some errors.
The &> checkModels.log syntax overwrites the checkModels.log file every time with the combination of stderr and stdout, rather than appending to it with just the errors. Thus some of the intended output of the observables testing was being captured and hidden, and then only the last iteration of it would be reported during the "Debugging info" block.

Also, the use of back ticks in the line

echo "<summary>Debugging info for `checkModels.py` (if any).</summary>" >> summary.txt

actually executed the checkModels.py script rather than just printing its name. But rather than fix this, it is now removed, since it is no longer used.

In general, we should not be hiding or throwing away warnings and error messages.

Description of Changes

The current implementation hides any errors in a summary/details block, but reports them closer to where they occur. And it doesn't squash or hide the output of the observables test.

Also fixed a couple of small things that Claude (AI) helped find.

The regression log summaries were containing Warnings about failing to import Julia. I decided the best way to clean that up was to make Julia optional by turning it off rather than just failing. To turn it off (without an error message) you can now either use a module level variable like

import rmgpy
rmgpy.DISABLE_JULIA = True
import rmgpy.rmg.reactionmechanismsimulator_reactors

or you can set the environment variable before loading the python script that imports it like

RMG_DISABLE_JULIA=1 rmg.py input.py

Then I thought the RMG_DISABLE_JULIA environment variable might as well be set for example makefile targets that don't need it. Then I realized that's all of them because we didn't have any that test RMS, so I added some.

So this PR had some mission creep...

Testing

I waited for the CI tests to run, then looked carefully at the reported summary.

Reviewer Tips

Check the CI logs.
Maybe cherry-pick this onto another PR with a more significant regression and see how it behaves there.

Commit 60c4125 recently tweaked this and introduced some errors. The `&> checkModels.log` syntax overwrites the checkModels.log file every time, with the combination of stderr and stdout, rather than appending to it. Thus some of the intended output of the observables testing would be captured, and then only the last iteration of it would be reported during the "Debugging info" block. Also, the use of back ticks in the bash echo "<summary>...`checkModels.py`.." line actually executed the checkModels.py script rather than just printing its name! But rather than fix this, it is now removed, since it is no longer used. The current implementation, hopefully, hides the errors in a summary/details block, but reports them closer to where they occur. In general, we should not be hiding or throwing away warnings and error messages!

Copilot

Pull Request Overview

This pull request fixes the CI summary logging for regression tests by updating error output redirection and cleaning up unused logging blocks.

Replaces the redirection to checkModels.log with checkModels.err for core and edge comparisons.
Adds detailed error reporting blocks for both core and edge comparisons, and for observable testing using regression.py.err.

.github/workflows/CI.yml

github-actions · 2025-06-02T19:04:51Z

Regression Testing Results

⚠️ One or more regression tests failed.
Please download the failed results and run the tests locally or check the log to see why.

Detailed regression test results.

Regression test aromatics:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:07
Current: Execution time (DD:HH:MM:SS): 00:00:00:54
Reference: Memory used: 2756.31 MB
Current: Memory used: 2173.05 MB

aromatics Passed Core Comparison ✅

Original model has 15 species.
Test model has 15 species. ✅
Original model has 11 reactions.
Test model has 11 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

aromatics Passed Edge Comparison ✅

Original model has 106 species.
Test model has 106 species. ✅
Original model has 358 reactions.
Test model has 358 reactions. ✅

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: Aromatics Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

aromatics Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Regression test liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:21
Current: Execution time (DD:HH:MM:SS): 00:00:01:56
Reference: Memory used: 2862.43 MB
Current: Memory used: 2188.16 MB

liquid_oxidation Passed Core Comparison ✅

Original model has 37 species.
Test model has 37 species. ✅
Original model has 241 reactions.
Test model has 241 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

liquid_oxidation Failed Edge Comparison ❌

Original model has 214 species.
Test model has 214 species. ✅
Original model has 1590 reactions.
Test model has 1590 reactions. ✅
The original model has 2 reactions that the tested model does not have. ❌
rxn: C[CH]CC(C)OO(31) <=> [OH](22) + CCCC(C)=O(28) origin: intra_H_migration
rxn: C[CH]CCCOO(63) <=> [OH](22) + CCCCC=O(60) origin: intra_H_migration
The tested model has 2 reactions that the original model does not have. ❌
rxn: C[CH]CC(C)OO(31) <=> CCC[C](C)OO(81) origin: intra_H_migration
rxn: CCCC[CH]OO(102) <=> C[CH]CCCOO(63) origin: intra_H_migration

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

liquid_oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Regression test nitrogen:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:27
Current: Execution time (DD:HH:MM:SS): 00:00:00:59
Reference: Memory used: 2860.71 MB
Current: Memory used: 2203.01 MB

nitrogen Passed Core Comparison ✅

Original model has 41 species.
Test model has 41 species. ✅
Original model has 360 reactions.
Test model has 360 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

nitrogen Passed Edge Comparison ✅

Original model has 133 species.
Test model has 133 species. ✅
Original model has 983 reactions.
Test model has 983 reactions. ✅

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: NC Comparison

✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions!

nitrogen Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Regression test oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:30
Current: Execution time (DD:HH:MM:SS): 00:00:01:32
Reference: Memory used: 2736.71 MB
Current: Memory used: 2133.59 MB

oxidation Passed Core Comparison ✅

Original model has 59 species.
Test model has 59 species. ✅
Original model has 694 reactions.
Test model has 694 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

oxidation Passed Edge Comparison ✅

Original model has 230 species.
Test model has 230 species. ✅
Original model has 1526 reactions.
Test model has 1526 reactions. ✅

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: Oxidation Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace: WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test sulfur:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:56
Current: Execution time (DD:HH:MM:SS): 00:00:00:39
Reference: Memory used: 2840.98 MB
Current: Memory used: 2198.45 MB

sulfur Passed Core Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 74 reactions.
Test model has 74 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

sulfur Failed Edge Comparison ❌

Original model has 89 species.
Test model has 89 species. ✅
Original model has 227 reactions.
Test model has 227 reactions. ✅
The original model has 1 reactions that the tested model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary
The tested model has 1 reactions that the original model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: SO2 Comparison

The following observables did not match:

❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 0.01 s
T0: 900 K
P0: 30 bar
Initial Mole Fractions: {'S': 0.000756, '[O][O]': 0.00129, 'N#N': 0.997954}

sulfur Failed Observable Testing ❌

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Regression test superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:39
Current: Execution time (DD:HH:MM:SS): 00:00:00:25
Reference: Memory used: 2926.44 MB
Current: Memory used: 2327.07 MB

superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 21 reactions.
Test model has 21 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

superminimal Failed Edge Comparison ❌

Original model has 18 species.
Test model has 18 species. ✅
Original model has 28 reactions.
Test model has 28 reactions. ✅

Non-identical thermo! ❌
original: [O]OOO
tested: [O]OOO

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
20.55	73.45	16.83	18.19	18.99	19.52	20.44	21.47	23.15
20.55	74.76	16.83	18.19	18.99	19.52	20.44	21.47	23.15

Identical thermo comments:
thermo: QM MopacMolPM3 calculation attempt 1 + radical(ROOJ)

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Regression test RMS_constantVIdealGasReactor_superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:25
Current: Execution time (DD:HH:MM:SS): 00:00:01:23
Reference: Memory used: 3471.72 MB
Current: Memory used: 2364.42 MB

RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:00:21:16
Reference: Memory used: 3467.10 MB
Current: Memory used: 3438.93 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Original model has 37 species.
Test model has 35 species. ❌
Original model has 202 reactions.
Test model has 180 reactions. ❌
The original model has 11 species that the tested model does not have. ❌
spc: CCH2
spc: C=CC(18)
spc: CC(=O)CC(C)OO(95)
spc: CC(CC(C)OO)OO(98)
spc: C=CCC(C)O(152)
spc: CCCOO
spc: CCC(156)
spc: CCCOO(159)
spc: CCCO
spc: CCC=O(180)
spc: C=O(191)
The tested model has 9 species that the original model does not have. ❌
spc: CH3
spc: CC=CCC(16)
spc: [CH2]CC(CC)OO(32)
spc: CCC([O])CC(41)
spc: C[CH]CCCOO(65)
spc: [CH2]CCCCOO(66)
spc: CCCCCO
spc: CC1CC(C)O1(87)
spc: CC=CC(C)OO(88)
The original model has 104 reactions that the tested model does not have. ❌
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CC(5) <=> pentane(2) origin: R_Recombination
rxn: C[CH]CCC(11) <=> C[CH2](6) + C=CC(18) origin: R_Addition_MultipleBond
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
The tested model has 82 reactions that the original model does not have. ❌
rxn: oxygen(1) + CC[CH]CC(7) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]CCC(11) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: CC[CH]CC(7) + CC[CH]CC(7) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CC[CH]CC(7) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + C[CH]CCC(11) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CCC(CC)O[O](20) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CCCC(C)O[O](22) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC[CH]CC(7) + CCC(CC)O[O](20) <=> CC=CCC(16) + CCC(CC)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)O[O](22) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(37) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + CCC(CC)O[O](20) <=> CC=CCC(16) + CCC(CC)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)O[O](22) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(37) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: oxygen(1) + C[CH]CC(C)OO(37) <=> [O]O(13) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: CCC(CC)O[O](20) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + CCC(CC)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](22) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + CCCC(C)OO(27) origin: Disproportionation
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + CCCCCOO(78) origin: Disproportionation
rxn: CCC(CC)O[O](20) <=> [CH2]CC(CC)OO(32) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CC(CC)OO(32) <=> oxygen(1) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(24) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(CC)OO(32) <=> [O]O(13) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCC(CC)OO(24) <=> CCC(CC)O[O](20) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> [CH2]CCCC(12) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC(CC)OO(24) <=> O(42) + [CH2]CC(CC)OO(32) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCC(C)OO(27) <=> C[CH]CC(C)OO(37) + CCC(CC)OO(24) origin: H_Abstraction
rxn: CCCCCO[O](61) <=> C[CH]CCCOO(65) origin: intra_H_migration
rxn: [O]O(13) + C[CH]CCCOO(65) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: OO(23) + C[CH]CCCOO(65) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCC(CC)OO(24) <=> CCC(CC)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CCCC(12) + C[CH]CCCOO(65) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCCOO(65) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CCCC(C)OO(27) <=> C[CH]CC(C)OO(37) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCCCO[O](61) <=> [CH2]CCCCOO(66) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CCCCOO(66) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + [CH2]CCCCOO(66) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCC(CC)OO(24) <=> CCC(CC)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> [CH2]CCCC(12) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCCCOO(66) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCCOO(66) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CCCC(C)OO(27) <=> C[CH]CC(C)OO(37) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCCC[O](79) <=> CCCCCOO(78) origin: R_Recombination
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + [OH](25) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)[O](44) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCC(C)OO(27) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCC(C)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(24) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCC(CC)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC[O](79) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCCCOO(78) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCC(CC)O[O](20) <=> oxygen(1) + [OH](25) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](20) + CCC(CC)O[O](20) <=> oxygen(1) + CCC([O])CC(41) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](20) + CCCC(C)O[O](22) <=> oxygen(1) + CCC([O])CC(41) + CCCC(C)[O](44) origin: Peroxyl_Disproportionation
rxn: [OH](25) + CCC([O])CC(41) <=> CCC(CC)OO(24) origin: R_Recombination
rxn: CCC(CC)OO(24) + CCCC(C)OO(27) <=> O(42) + CCC([O])CC(41) + CCCC(C)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(24) + CCC(CC)OO(24) <=> O(42) + CCC([O])CC(41) + CCC(CC)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCC([O])CC(41) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCC(CC)OO(24) + CCCCCOO(78) <=> O(42) + CCC([O])CC(41) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OO(24) <=> [O]O(13) + O(42) + CCC([O])CC(41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(37) <=> [OH](25) + CC1CC(C)O1(87) origin: Cyclic_Ether_Formation

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌

Original model has 248 species.
Test model has 107 species. ❌
Original model has 2057 reactions.
Test model has 549 reactions. ❌
The original model has 141 species that the tested model does not have. ❌
spc: [O]OOO(21)
spc: CCCC(C)OOOO
spc: CCC(CC)OOOO
spc: CCCCCOOOO
spc: CC(CCOO)OO
spc: CC(CCO[O])OO(93)
spc: CC1CC(C)OOO1(94)
spc: CC(=O)CC(C)OO(95)
spc: CC([CH]C(C)OO)OO(96)
spc: [CH2]C(CC(C)OO)OO(97)
spc: CC(CC(C)OO)OO(98)
spc: CC([O])CC(C)OO(99)
spc: CC(O)CC(C)OO(101)
spc: [C-]#O+
spc: CC(=O)CCOO(103)
spc: C=C(C)OC(C)OO(104)
spc: CC(O)=CC(C)OO(105)
spc: C=C(O)CC(C)OO(106)
spc: CC1CC(C)(O)OO1(107)
spc: CC(=O)CC(C)O
spc: C[CH]CC(C)=O(109)
spc: CC(=O)CC(C)OO
spc: C=C(C)O
spc: CC(=O)C[CH]OO(112)
spc: CCOO(113)
spc: C[C]=O(114)
spc: CC([O])=CC(C)OO(115)
spc: [CH2]C(CC(C)=O)OO(116)
spc: CC(C[C]=O)OO(117)
spc: C=C([O])CC(C)OO(118)
spc: C=C(C)O(119)
spc: C=COO(120)
spc: CC(CCOO)OO(121)
spc: CC(C[CH]OO)OO(122)
spc: CCOO(123)
spc: CCCC(C)OO(133)
spc: CC(CC(C)([O])O)OO(137)
spc: [O]OO(138)
spc: CC(=O)CC(C)OOO
spc: C[CH]C(144)
spc: C(145)
spc: C=CO(146)
spc: [CH]=O(147)
spc: C=CO
spc: [CH2]CCCO(149)
spc: [CH2]CC=CC(150)
spc: [CH2]CO(151)
spc: C=CCC(C)O(152)
spc: [CH2]C(C)O(153)
spc: CCCOO
spc: CC(O)CCCOO
spc: CCC(156)
spc: C[CH]O(157)
spc: CCO
spc: CCCOO(159)
spc: CC(O)OO
spc: C[CH]OOO(161)
spc: CC([O])OO(162)
spc: CC(O)CCCOO(163)
spc: CCCO(164)
spc: CC([O])O(165)
spc: C[CH]OCCC(166)
spc: CC1OOC1C(167)
spc: C=COOCC(168)
spc: C=COC(C)O(169)
spc: CCOO
spc: C=[C]C(171)
spc: [CH]=CC(172)
spc: C[C]C(173)
spc: [CH]CC(174)
spc: CC(175)
spc: C[CH]COO(176)
spc: CCCOOOO
spc: CC(C)OO
spc: CCCO
spc: CCC=O(180)
spc: CCCOOOO(181)
spc: CC(C)O(182)
spc: CC1COC1C(183)
spc: C=COC(C)C(184)
spc: C=COCCC(185)
spc: C=CCOCC(186)
spc: C[CH]OOOCCC(187)
spc: CCCOOC(C)O
spc: CCCOOO
spc: CCCOOO(190)
spc: C=O(191)
spc: CC[CH]O(192)
spc: C[CH]CO(193)
spc: [CH2]CCO(194)
spc: CCOO(195)
spc: C=CCCO(196)
spc: C=CC=CC(197)
spc: C=CCC=C(198)
spc: C=CCC(C)O
spc: C=CC[CH]O(200)
spc: C=CCCO(201)
spc: C=C[CH]C(C)O(202)
spc: [CH2]C(O)CC=C(203)
spc: C=[C]CC(C)O(204)
spc: [CH]=CCC(C)O(205)
spc: C[C]CC(C)O(206)
spc: [CH]CCC(C)O(207)
spc: CC(O)CCCO(208)
spc: CC(O)CC(C)O(209)
spc: C[CH]OOCCC(210)
spc: CCCOC(C)O
spc: C=COC(212)
spc: CC=CO(213)
spc: CC=CO
spc: [CH2]CC=O(215)
spc: CC[C]=O(216)
spc: [H]H
spc: [CH2]O(218)
spc: CO
spc: CCC(O)OO
spc: CC[CH]OOO(221)
spc: CCC([O])OO(222)
spc: [O]OCO(223)
spc: [CH2]OOO(224)
spc: [O]COO(225)
spc: CCC1OOC1C(226)
spc: C=COOCCC(227)
spc: C=COC(O)CC(228)
spc: CC=COOCC(229)
spc: CC=COC(C)O(230)
spc: CC1COO1(231)
spc: C=COOC(232)
spc: C=COCO(233)
spc: C[CH]OCC(234)
spc: CC1CCO1(235)
spc: CC1COC1(236)
spc: C=CCOC(237)
spc: CCCOOCC(238)
spc: CCC1COO1(239)
spc: CC=COOC(240)
spc: CC=COCO(241)
spc: CC[CH]OCC(242)
spc: C1COO1(243)
spc: [CH2]OCC(244)
spc: COO
The original model has 1508 reactions that the tested model does not have. ❌
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: oxygen(1) + [O]O(13) <=> [O]OOO(21) origin: R_Recombination
rxn: oxygen(1) + CCCC(C)O[O](20) <=> CCCC(C)OOO[O](39) origin: R_Recombination
rxn: oxygen(1) + CCC(CC)O[O](22) <=> CCC(CC)OOO[O](40) origin: R_Recombination
rxn: oxygen(1) + CCCCCO[O](61) <=> CCCCCOOO[O](77) origin: R_Recombination
rxn: [CH2](3) + CC(CCOO)O[O](92) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(CCO[O])OO(93) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC1CC(C)OOO1(94) origin: Cyclic_Ether_Formation
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC=CC(C)OO(88) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + C=CCC(C)OO(89) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [CH2]C(CC(C)OO)OO(97) origin: intra_H_migration
rxn: [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + [OH](25) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)[O](41) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)=O(31) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC([O])CC(44) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC(=O)CC(36) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC[C](C)OO(55) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC[O](79) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC=O(62) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCO(100) origin: Peroxyl_Termination
rxn: C=CC[CH]C(69) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=CCCC(17) + CC(CC(C)OO)O[O](91) <=> [CH2]C=CCC(71) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]CCC(73) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC([O])CC(C)OO(99) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CCC(C)OO(52) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC(=O)CCOO(103) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_carbene
rxn: C=C(C)OC(C)OO(104) <=> CC(=O)CC(C)OO(95) origin: 1,3_sigmatropic_rearrangement
rxn: CC(O)=CC(C)OO(105) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: C=C(O)CC(C)OO(106) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: CC(=O)CC(C)OO(95) <=> CC1CC(C)(O)OO1(107) origin: Korcek_step1
rxn: [OH](25) + CC(=O)CC(C)[O](108) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC(C)=O(109) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC(=O)CC(C)O[O](110) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[CH]OO(53) + C=C(C)[O](111) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(=O)C[CH]OO(112) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)=O)OO(113) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[C]=O(114) + [CH2]C(C)OO(56) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC([O])=CC(C)OO(115) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)=O)OO(116) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(C[C]=O)OO(117) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C=C([O])CC(C)OO(118) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: CC(=O)CC(C)OO(95) <=> C=COO(120) + C=C(C)O(119) origin: Retroene
rxn: [CH2](3) + CC(CCOO)OO(121) <=> CC(CC(C)OO)OO(98) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC(CC(C)OO)O[O](91) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]OO(53) + [CH2]C(C)OO(56) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH3](10) + CC(C[CH]OO)OO(122) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)OO)OO(123) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [O]O(13) + CC(=O)CC(C)O[O](110) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)=O)OO(113) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC([O])=CC(C)OO(115) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)=O)OO(116) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C=C([O])CC(C)OO(118) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)OO)OO(123) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CC([CH]C(C)OO)OO(96) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)OO)OO(97) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: oxygen(1) + C[C](O)CC(C)OO(133) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: oxygen(1) + CC([O])CC(C)OO(99) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)O[O](110) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)=O)OO(113) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + CC([O])=CC(C)OO(115) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)=O)OO(116) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC(=O)CC(C)OO(95) <=> OO(23) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)OO)OO(123) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + CC([CH]C(C)OO)OO(96) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)OO)OO(97) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) <=> CC([O])=CC(C)OO(115) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> [CH2]CCCC(12) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)[O](108) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)O[O](20) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)[O](108) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)O[O](110) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](22) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC([O])CC(44) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> C[C](CC(C)OO)OO(123) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> CC(CC(C)([O])O)OO(137) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCO[O](61) <=> CC([O])=CC(C)OO(115) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C=CC[CH]C(69) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[CH]C(69) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [O]O(13) + O(42) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [OH](25) + O(42) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[C](O)CC(C)OO(133) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [O]O(13) + CC([O])CC(C)OO(99) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [O]O(13) + O(42) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)[O](108) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCC[O](79) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> CC=CC(C)OO(88) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)OO(89) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C=C([O])CC(C)OO(118) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC([O])=CC(C)OO(115) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) <=> CCCC(C)=O(31) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + C[C](O)CC(C)OO(133) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)[O](108) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)O[O](110) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)[O](108) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[C](O)CC(C)OO(133) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(CC(C)OO)OO(98) + CC(CC(C)OO)OO(98) <=> O(42) + CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]OO(138) + CCCC(C)O[O](20) <=> oxygen(1) + [O]O(13) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCC(C)OO[O](48) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCC(CC)OO[O](49) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + OO(23) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCCCOO[O](139) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CC(=O)CC(C)OO[O](140) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCC(C)OOO(135) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OOO(142) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOOO(143) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + C[CH2](6) <=> [CH2]CC(5) origin: 1,2_Insertion_carbene
rxn: [CH2]CC(5) <=> [H](8) + C=CC(18) origin: R_Addition_MultipleBond
rxn: [CH3](10) + C=C(50) <=> [CH2]CC(5) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) <=> [CH2]CC(5) origin: intra_H_migration
rxn: [C-]#[O+](102) + C(145) <=> CC=O(126) origin: 1,2_Insertion_CO
rxn: C=CO(146) <=> CC=O(126) origin: Ketoenol
rxn: [CH]=O(147) + [CH3](10) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C=C[O](148) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C[C]=O(114) <=> CC=O(126) origin: R_Recombination
rxn: [CH2](3) + [CH2]CCCO(149) <=> [CH2]CCC(C)O(132) origin: 1,2_Insertion_carbene
rxn: O(42) + [CH2]CC=CC(150) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: O(42) + [CH2]CCC=C(72) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [CH2]CO(151) + C=CC(18) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [H](8) + C=CCC(C)O(152) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: C=C(50) + [CH2]C(C)O(153) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: [CH2]CCC(C)O(132) <=> C[CH]CC(C)O(131) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CC[CH]C(C)O(129) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CCC[C](C)O(128) origin: intra_H_migration
rxn: [CH2]C(O)CCC(130) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: [O]O(13) + C=C[O](148) <=> oxygen(1) + CC=O(126) origin: H_Abstraction
rxn: oxygen(1) + CC=O(126) <=> [O]O(13) + C[C]=O(114) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> CC(O)CCCO[O](155) origin: R_Recombination
rxn: C[CH]O(157) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + C[CH]CCC(11) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CCC(11) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: oxygen(1) + C[CH]O(157) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: oxygen(1) + CC[O](158) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: CC(O)O[O](160) <=> [O]O(13) + CC=O(126) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C=C[O](148) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C[C]=O(114) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> C[CH]OOO(161) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=O(126) <=> CC([O])OO(162) origin: R_Addition_MultipleBond
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> CC(O)CCCOO(163) origin: R_Recombination
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + CC[CH]CC(7) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + CC[CH]CC(7) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C]=O(114) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C[O](148) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C]=O(114) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CCC)OO(33) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)OO(35) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]O(157) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC(156) + [CH2]CC(CC)OO(38) <=> [CH2]CC(5) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]O(157) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + [CH2]CC(5) <=> CCCO(164) origin: R_Recombination
rxn: [OH](25) + CC=O(126) <=> O(42) + C=C[O](148) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> O(42) + C[C]=O(114) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> C[CH]OO(53) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC=O(126) <=> CC([O])O(165) origin: R_Addition_MultipleBond
rxn: C=C[O](148) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C]=O(114) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC=C(72) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + C=[C]CCC(73) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + [CH]=CCCC(74) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]O(157) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [O]O(13) + C[CH]O(157) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: [O]O(13) + CC[O](158) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: OO(23) + [CH2]CCC(C)O(132) <=> [O]O(13) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCCOO(66) <=> [CH2]CC(5) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]O(157) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + CC=CC(C)OO(88) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C=C[O](148) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C[C]=O(114) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C]=O(114) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + C[CH]O(157) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CC[O](158) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)=O)OO(116) <=> [CH2]CC(5) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: C[CH]O(157) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) <=> CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)OO)OO(97) <=> [CH2]CC(5) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]O(157) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> CCC(156) + CCCC(C)=O(31) origin: Disproportionation
rxn: CC=O(126) + CCCC(C)[O](41) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + CCCC(C)[O](41) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + [CH2]CC(5) <=> C=C[O](148) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[C]=O(114) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[CH]OCCC(166) origin: R_Addition_MultipleBond
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + CC=O(126) <=> CC1OOC1C(167) origin: 2+2_cycloaddition
rxn: C=C[O](148) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=C[O](148) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=COOCC(168) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: C=COC(C)O(169) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCO[O](170) + CCCC(C)OO[O](48) <=> oxygen(1) + CC=O(126) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCC(CC)OO[O](49) <=> oxygen(1) + CC=O(126) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCO[O](170) <=> oxygen(1) + OO(23) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCCCOO[O](139) <=> oxygen(1) + CC=O(126) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CCO[O](170) <=> oxygen(1) + O(42) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CC=O(126) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: [CH2](3) + C=C(50) <=> C=CC(18) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + [CH]=C(70) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH2]C=C(67) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + C=[C]C(171) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH]=CC(172) <=> C=CC(18) origin: R_Recombination
rxn: C[C]C(173) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CC(174) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + C[CH2](6) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + C[CH]C(144) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + [CH2]CC(5) <=> CCC(156) origin: R_Recombination
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: CCCO[O](154) <=> CC[CH]OO(58) origin: intra_H_migration
rxn: CCCO[O](154) <=> C[CH]COO(176) origin: intra_H_migration
rxn: CCCO[O](154) <=> [CH2]CCOO(81) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C=C(67) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=[C]C(171) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: oxygen(1) + C=CC(18) <=> [O]O(13) + [CH]=CC(172) origin: H_Abstraction
rxn: oxygen(1) + CCC(156) <=> [O]O(13) + C[CH]C(144) origin: H_Abstraction
rxn: oxygen(1) + CCCO[O](154) <=> CCCOOO[O](177) origin: R_Recombination
rxn: C[CH]C(144) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C=CC(18) + C[CH]CCC(11) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(144) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: CC(C)O[O](178) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + [CH2]C=C(67) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + C=[C]C(171) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + [CH]=CC(172) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=CC(18) <=> [CH2]C(C)OO(56) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=CC(18) <=> C[CH]COO(176) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC(156) <=> OO(23) + C[CH]C(144) origin: H_Abstraction
rxn: [O]O(13) + CCCO[O](154) <=> CCCOOOO(181) origin: R_Recombination
rxn: C=CC(18) + CC[CH]CC(7) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCO[O](154) + CC[CH]CC(7) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCCO(164) + CCCC(C)=O(31) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC=O(180) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: [CH2]C=C(67) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]C(171) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CC(172) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC[O](179) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCCO(164) + CCC(=O)CC(36) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC=O(180) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: C=CC(18) + [CH2]CCCC(12) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> C[CH]C(144) + pentane(2) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCOO(159) + CCC[C](C)OO(55) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]C(C)OO(32) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CCC)OO(33) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)OO(35) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCOO(159) + CC[C](CC)OO(59) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]C(CC)OO(37) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CC(CC)OO(38) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C=C(67) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]C(171) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[CH]C(144) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC[O](179) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCCO(164) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC=O(180) + CCCCCO(100) origin: Peroxyl_Termination
rxn: [CH2]CC(5) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + C=CC[CH]C(69) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO[O](154) + C=CCCC(17) <=> CCCOO(159) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC=C(72) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + C=[C]CCC(73) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + [CH]=CCCC(74) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: [O]O(13) + C[CH]C(144) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: CCCOO(159) + CC[CH]CCOO(64) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCC[CH]COO(63) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCCOO(65) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCCC[CH]OO(84) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCCOO(66) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + C=CCC(C)OO(89) origin: Disproportionation
rxn: [CH2]C=C(67) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]C(171) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CC(172) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC[O](179) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCO(164) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC=O(180) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: O(42) + C=CC(18) <=> CCCO(164) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CC(18) <=> CC(C)O(182) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]C(144) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCOO(159) + CC(=O)CC(C)O[O](110) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C[C](CC(C)=O)OO(113) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCO[O](154) + CC(=O)CC(C)OO(95) <=> CCCOO(159) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)=O)OO(116) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C=C([O])CC(C)OO(118) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCOO(159) + C[C](CC(C)OO)OO(123) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + CC([CH]C(C)OO)OO(96) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)OO)OO(97) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(156) <=> C[CH]C(144) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + C=CC(18) <=> CC1COC1C(183) origin: 2+2_cycloaddition
rxn: CC=O(126) + C=CC(18) <=> CC1CC(C)O1(87) origin: 2+2_cycloaddition
rxn: C=C[O](148) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=C[O](148) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=COC(C)C(184) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=COCCC(185) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=CCOCC(186) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C[CH]O(157) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C=C[O](148) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: C[C]=O(114) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: CC=O(126) + CCCO[O](154) <=> C[CH]OOOCCC(187) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCCO[O](154) <=> CCCOOC(C)[O](188) origin: R_Addition_MultipleBond
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> C[CH]C(144) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> [CH2]CC(5) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C=C(67) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(144) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C=[C]C(171) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH]C(144) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC=O(180) + CCCO(164) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCOO[O](189) <=> oxygen(1) + [O]O(13) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCO[O](154) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCO[O](154) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCCCOO[O](139) <=> oxygen(1) + CCCO[O](154) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCOO[O](189) <=> oxygen(1) + CCCO[O](154) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO(159) + CCCC(C)OOO(135) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OOO(142) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOOO(143) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOOO(190) <=> O(42) + CCCO[O](154) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCC=O(180) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) <=> CC[CH]O(192) origin: intra_H_migration
rxn: C[CH]CO(193) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2]CCO(194) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCO[O](154) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2]OO(82) + C[CH2](6) <=> CCCOO(159) origin: R_Recombination
rxn: [CH3](10) + [CH2]COO(80) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + C[CH]COO(176) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + CC[CH]OO(58) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + [CH2]CCOO(81) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2](3) + C=CCCO(196) <=> C=CCC(C)O(152) origin: 1,2_Insertion_carbene
rxn: O(42) + C=CC=CC(197) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC=C(198) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: C=CO(146) + C=CC(18) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C=CC[CH]C(69) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CCC(C)[O](199) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C[CH]O(157) + [CH2]C=C(67) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH3](10) + C=CC[CH]O(200) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CC[C](C)O(201) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH]=C(70) + [CH2]C(C)O(153) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=C[CH]C(C)O(202) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CC=C(203) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=[C]CC(C)O(204) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH]=CCC(C)O(205) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C=CCC(C)O(152) <=> C=CO(146) + C=CC(18) origin: Retroene
rxn: C[C]CC(C)O(206) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CCC(C)O(207) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: oxygen(1) + CCC[O](179) <=> CCCOO[O](189) origin: R_Recombination
rxn: [O]O(13) + C[CH]COO(176) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]OO(58) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCOO(81) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]OO(58) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> oxygen(1) + CCCO(164) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> CCCOOO(190) origin: R_Recombination
rxn: OO(23) + C[CH]COO(176) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CCCOO(159) <=> OO(23) + CC[CH]OO(58) origin: H_Abstraction
rxn: OO(23) + [CH2]CCOO(81) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]CC(7) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]COO(176) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> C[CH]COO(176) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: C[CH]CC(C)O(131) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]COO(176) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: CCCO(164) + C=[C]CCC(73) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO(164) + [CH]=CCCC(74) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]COO(176) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C=CC[CH]C(69) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [O]O(13) + CCCO(164) <=> OO(23) + CCC[O](179) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCC[CH]COO(63) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC(18) + C[CH]CC(C)OO(34) <=> [CH2]C=C(67) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]OO(58) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + CCCO(164) <=> O(42) + CCC[O](179) origin: H_Abstraction
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CCCO(208) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CC(C)O(209) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]CC(C)O(131) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCC[O](179) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCCO[O](154) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCO[O](154) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCO[O](154) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> C[CH]COO(176) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCOO(159) <=> CC[CH]OO(58) + CCC(156) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(156) <=> [CH2]CC(5) + CCCOO(159) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C=C[O](148) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[C]=O(114) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[CH]OOCCC(210) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCC[O](179) <=> CCCOC(C)[O](211) origin: R_Addition_MultipleBond
rxn: C[CH]O(157) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CCCO[O](154) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> C[CH]COO(176) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CC[CH]OO(58) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)O(46) <=> CCCOO(159) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=CC(18) + CCC[O](179) <=> [CH2]C=C(67) + CCCO(164) origin: H_Abstraction
rxn: C=[C]C(171) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO(164) <=> CCC[O](179) + CCC(156) origin: H_Abstraction
rxn: CCC[O](179) + CCC(156) <=> [CH2]CC(5) + CCCO(164) origin: H_Abstraction
rxn: C[CH]C(144) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]COO(176) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CCC[O](179) <=> CCC=O(180) + CCCO(164) origin: Disproportionation
rxn: CCC[O](179) + CCCOO(159) <=> CCCO[O](154) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> C[CH]COO(176) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> CC[CH]OO(58) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> [CH2]CCOO(81) + CCCO(164) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCOO(159) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCOO[O](189) <=> oxygen(1) + CC=O(126) + CCCOO(159) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CC(175) <=> CCC=O(180) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC=O(126) <=> CCC=O(180) origin: 1,2_Insertion_carbene
rxn: C=COC(212) <=> CCC=O(180) origin: 1,3_sigmatropic_rearrangement
rxn: CC=CO(213) <=> CCC=O(180) origin: Ketoenol
rxn: [CH3](10) + C=C[O](148) <=> CCC=O(180) origin: R_Recombination
rxn: [CH]=O(147) + C[CH2](6) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC=C[O](214) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + [CH2]CC=O(215) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC[C]=O(216) <=> CCC=O(180) origin: R_Recombination
rxn: [H][H](217) + [C-]#[O+](102) <=> C=O(191) origin: 1,2_Insertion_CO
rxn: [H](8) + [CH]=O(147) <=> C=O(191) origin: R_Recombination
rxn: [H](8) + C=C(50) <=> C[CH2](6) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=C[O](214) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CC=O(215) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: oxygen(1) + CCC=O(180) <=> [O]O(13) + CC[C]=O(216) origin: H_Abstraction
rxn: oxygen(1) + C=O(191) <=> [O]O(13) + [CH]=O(147) origin: H_Abstraction
rxn: oxygen(1) + C[CH2](6) <=> [O]O(13) + C=C(50) origin: Disproportionation
rxn: CCO[O](170) <=> oxygen(1) + C[CH2](6) origin: R_Recombination
rxn: CC[CH]O(192) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + pentane(2) <=> CC(175) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + C[CH]CCC(11) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CCC(11) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: oxygen(1) + CC[CH]O(192) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC(O)O[O](220) <=> [O]O(13) + CCC=O(180) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + CC=C[O](214) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + [CH2]CC=O(215) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + CC[C]=O(216) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + CCC=O(180) <=> CC[CH]OOO(221) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC=O(180) <=> CCC([O])OO(222) origin: R_Addition_MultipleBond
rxn: oxygen(1) + [CH2]O(218) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: oxygen(1) + C[O](219) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: [O]OCO(223) <=> [O]O(13) + C=O(191) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + C=O(191) <=> OO(23) + [CH]=O(147) origin: H_Abstraction
rxn: [O]O(13) + C=O(191) <=> [CH2]OOO(224) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=O(191) <=> [O]COO(225) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C[CH2](6) <=> OO(23) + C=C(50) origin: Disproportionation
rxn: oxygen(1) + CC(175) <=> [O]O(13) + C[CH2](6) origin: H_Abstraction
rxn: [O]O(13) + C[CH2](6) <=> CCOO(195) origin: R_Recombination
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + CC[CH]CC(7) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + CC[CH]CC(7) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + CC[CH]CC(7) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: CC=C[O](214) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=O(191) + CCCC(C)O[O](20) <=> [CH]=O(147) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)O[O](20) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC=C[O](214) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[C]=O(216) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=O(191) + CCC(CC)O[O](22) <=> [CH]=O(147) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)O[O](22) <=> C=C(50) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + [CH2]CCCC(12) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + [CH2]CCCC(12) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CCCC(12) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(175) + CCCC(C)O[O](20) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CCC)OO(33) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC(C)OO(35) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]O(192) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(175) + CCC(CC)O[O](22) <=> C[CH2](6) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CC=C[O](214) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=O(191) + CCCCCO[O](61) <=> [CH]=O(147) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCO[O](61) <=> C=C(50) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CCCC(12) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]CCC(11) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CC(175) + [CH2]C=CCC(71) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC=C(72) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=[C]CCC(73) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]O(192) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: [O]O(13) + [CH2]O(218) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + C[O](219) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + CC(175) <=> OO(23) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: CC(175) + CCCCCO[O](61) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCC[CH]COO(63) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CC(175) + [CH2]CCCCOO(66) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC=C[O](214) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC[C]=O(216) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + CC=CC(C)OO(88) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=C[O](214) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[C]=O(216) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=O(147) + CC(CC(C)OO)OO(98) <=> C=O(191) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)O[O](91) <=> C=C(50) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + CC[CH]O(192) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [OH](25) + [CH2]O(218) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + C[O](219) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + CC(175) <=> O(42) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + C[C](O)CC(C)OO(133) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + CC([O])CC(C)OO(99) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(175) + CC(=O)CC(C)O[O](110) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)=O)OO(116) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(175) + CC(CC(C)OO)O[O](91) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)OO)OO(97) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC=O(126) + CCC=O(180) <=> CCC1OOC1C(226) origin: 2+2_cycloaddition
rxn: C=C[O](148) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=C[O](148) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=COOCCC(227) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=COC(O)CC(228) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COOCC(229) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COC(C)O(230) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=O(191) + CC=O(126) <=> CC1COO1(231) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH2]O(218) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]O(157) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + CC[O](158) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C=COOC(232) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: C=COCO(233) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: CC=O(126) + C[CH2](6) <=> C=C[O](148) + CC(175) origin: H_Abstraction
rxn: C[C]=O(114) + CC(175) <=> CC=O(126) + C[CH2](6) origin: H_Abstraction
rxn: CC=O(126) + C[CH2](6) <=> C[CH]OCC(234) origin: R_Addition_MultipleBond
rxn: CC=O(126) + C[CH2](6) <=> CCC(C)[O](125) origin: R_Addition_MultipleBond
rxn: [CH2]C=C(67) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]C=C(67) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + C=CC(18) <=> CC1CCO1(235) origin: 2+2_cycloaddition
rxn: C=O(191) + C=CC(18) <=> CC1COC1(236) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CC(5) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]C(144) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C=CCOC(237) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: C=CCCO(196) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: CC(175) + [CH2]C=C(67) <=> C[CH2](6) + C=CC(18) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + C=[C]C(171) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + [CH]=CC(172) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> [CH2]C(C)CC(15) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: CC(175) + C[CH]C(144) <=> C[CH2](6) + CCC(156) origin: H_Abstraction
rxn: C[CH2](6) + CCC(156) <=> CC(175) + [CH2]CC(5) origin: H_Abstraction
rxn: CC=C[O](214) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH2](6) + CCCO[O](154) <=> C=C(50) + CCCOO(159) origin: Disproportionation
rxn: C[CH2](6) + CCCO[O](154) <=> CCCOOCC(238) origin: R_Recombination
rxn: CC[CH]O(192) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: CC(175) + CCCO[O](154) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + C[CH]COO(176) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + CC[CH]OO(58) origin: H_Abstraction
rxn: CC(175) + [CH2]CCOO(81) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: CC=C[O](214) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + CCC=O(180) <=> CCC1COO1(239) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CC[CH]O(192) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CCC[O](179) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: CC=COOC(240) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: CC=COCO(241) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: C[CH2](6) + CCC=O(180) <=> CC(175) + CC=C[O](214) origin: H_Abstraction
rxn: CC(175) + [CH2]CC=O(215) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: CC(175) + CC[C]=O(216) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: C[CH2](6) + CCC=O(180) <=> CC[CH]OCC(242) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CCC=O(180) <=> CCC([O])CC(44) origin: R_Addition_MultipleBond
rxn: C=O(191) + C=O(191) <=> C1COO1(243) origin: 2+2_cycloaddition
rxn: [CH]=O(147) + [CH2]O(218) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + C[O](219) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + CC(175) <=> C=O(191) + C[CH2](6) origin: H_Abstraction
rxn: C=O(191) + C[CH2](6) <=> [CH2]OCC(244) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + C[CH2](6) <=> C=C(50) + CC(175) origin: Disproportionation
rxn: C[CH2](6) + C[CH2](6) <=> CCCC(4) origin: R_Recombination
rxn: CCCO[O](154) + CCCC(C)OO[O](48) <=> oxygen(1) + CCC=O(180) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCC(C)OO[O](48) <=> oxygen(1) + C=O(191) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)OO[O](49) <=> oxygen(1) + CCC=O(180) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CO[O](245) + CCC(CC)OO[O](49) <=> oxygen(1) + C=O(191) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCO[O](154) <=> oxygen(1) + OO(23) + CCC=O(180) origin: Peroxyl_Termination
rxn: [O]OO(138) + CO[O](245) <=> oxygen(1) + OO(23) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCOO[O](139) <=> oxygen(1) + CCC=O(180) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCCCOO[O](139) <=> oxygen(1) + C=O(191) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CO[O](245) <=> oxygen(1) + O(42) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CCC=O(180) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CO[O](245) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + C=O(191) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCOO[O](189) <=> oxygen(1) + CCC=O(180) + CCCOO(159) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCOO[O](189) <=> oxygen(1) + C=O(191) + CCCOO(159) origin: Peroxyl_Termination

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: RMS_CSTR_liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_CSTR_liquid_oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Regression test fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:42
Current: Execution time (DD:HH:MM:SS): 00:00:00:31
Reference: Memory used: 2656.81 MB
Current: Memory used: 2097.52 MB

fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

fragment Passed Edge Comparison ✅

Original model has 33 species.
Test model has 33 species. ✅
Original model has 47 reactions.
Test model has 47 reactions. ✅

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace: WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test RMS_constantVIdealGasReactor_fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:03:08
Current: Execution time (DD:HH:MM:SS): 00:00:01:48
Reference: Memory used: 3624.92 MB
Current: Memory used: 2564.52 MB

RMS_constantVIdealGasReactor_fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

RMS_constantVIdealGasReactor_fragment Passed Edge Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 24 reactions.
Test model has 24 reactions. ✅

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: RMS_constantVIdealGasReactor_fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace: WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test minimal_surface:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:45
Current: Execution time (DD:HH:MM:SS): 00:00:00:33
Reference: Memory used: 2840.60 MB
Current: Memory used: 2241.02 MB

minimal_surface Passed Core Comparison ✅

Original model has 11 species.
Test model has 11 species. ✅
Original model has 3 reactions.
Test model has 3 reactions. ✅

Errors occurred during core comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

minimal_surface Passed Edge Comparison ✅

Original model has 38 species.
Test model has 38 species. ✅
Original model has 38 reactions.
Test model has 38 reactions. ✅

Errors occurred during edge comparison ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

Details

Observables Test Case: minimal_surface Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

minimal_surface Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

beep boop this comment was written by a bot 🤖

rwest · 2025-06-02T20:46:39Z

I think we shouldn't alert "Errors occurred during core comparison ⚠️" for the line

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:

because it's fully expected in this context.

But whether we should hide this line just in this context, or not print it to STDERR in the first place, what do you think?
There's something to be said for making general users aware that RMS wasn't loaded if it was an accident. But it's annoying to warn them loudly (to STDERR) if they did it on purpose.

There was a note about what we could do once we upgrade Python, which we now have.

You can either import like this import rmgpy rmgpy.DISABLE_JULIA = True import rmgpy.rmg.reactionmechanismsimulator_reactors or you can set the environment variable like RMG_DISABLE_JULIA=1 before loading the python script that imports it. Either way, it'll skip importing the juliacall stuff, saving compile time, and not logging a warning to the stderr.

They're not needed. Trying (and failing) to import them adds warnings to the stderr stream which ends up in the regression CI logs.

If these examples don't use RMS reactors, they can set the RMG_DISABLE_JULIA environment variable when calling RMG to disable it and speed things up.

rwest · 2025-06-03T03:36:46Z

This PR had some mission creep. I updated the summary at the top ☝️

github-actions · 2025-06-03T07:09:47Z

Regression Testing Results

⚠️ One or more regression tests failed.
Please download the failed results and run the tests locally or check the log to see why.

Detailed regression test results.

Regression test aromatics:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:07
Current: Execution time (DD:HH:MM:SS): 00:00:00:51
Reference: Memory used: 2756.31 MB
Current: Memory used: 2110.93 MB

aromatics Passed Core Comparison ✅

Original model has 15 species.
Test model has 15 species. ✅
Original model has 11 reactions.
Test model has 11 reactions. ✅

aromatics Passed Edge Comparison ✅

Original model has 106 species.
Test model has 106 species. ✅
Original model has 358 reactions.
Test model has 358 reactions. ✅

Details

Observables Test Case: Aromatics Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

aromatics Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall'

Regression test liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:21
Current: Execution time (DD:HH:MM:SS): 00:00:01:56
Reference: Memory used: 2862.43 MB
Current: Memory used: 2190.11 MB

liquid_oxidation Passed Core Comparison ✅

Original model has 37 species.
Test model has 37 species. ✅
Original model has 241 reactions.
Test model has 241 reactions. ✅

liquid_oxidation Failed Edge Comparison ❌

Original model has 214 species.
Test model has 214 species. ✅
Original model has 1590 reactions.
Test model has 1593 reactions. ❌
The tested model has 3 reactions that the original model does not have. ❌
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC([O])CC(C)OO(110) + CC([O])CCCOO(122) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CC(C)OO(101) + CC(O)CCCOO(152) origin: Peroxyl_Termination
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CCCOO(115) + CC(O)CC(C)OO(143) origin: Peroxyl_Termination

Non-identical kinetics! ❌
original:
rxn: CCC(CC)O[O](37) + CCCCCO[O](36) <=> oxygen(1) + CCC([O])CC(67) + CCCCC[O](69) origin: Peroxyl_Disproportionation
tested:
rxn: CCC(CC)O[O](35) + CCCCCO[O](36) <=> oxygen(1) + CCC([O])CC(69) + CCCCC[O](67) origin: Peroxyl_Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	3.54	4.28	4.73	5.02	5.39	5.62	5.91	6.06
k(T):	7.83	7.49	7.23	7.02	6.68	6.42	5.95	5.61

kinetics: Arrhenius(A=(3.2e+12,'cm^3/(mol*s)'), n=0, Ea=(4.064,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing_Ext-5R-R""")
kinetics: Arrhenius(A=(3.18266e+20,'cm^3/(mol*s)'), n=-2.694, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing""")
kinetics: Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing_Ext-5R-R
kinetics: Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing

Details

Observables Test Case: liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

liquid_oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall'

Regression test nitrogen:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:27
Current: Execution time (DD:HH:MM:SS): 00:00:00:59
Reference: Memory used: 2860.71 MB
Current: Memory used: 2205.07 MB

nitrogen Passed Core Comparison ✅

Original model has 41 species.
Test model has 41 species. ✅
Original model has 360 reactions.
Test model has 360 reactions. ✅

nitrogen Failed Edge Comparison ❌

Original model has 133 species.
Test model has 133 species. ✅
Original model has 983 reactions.
Test model has 983 reactions. ✅

Non-identical thermo! ❌
original: O1[C]=N1
tested: O1[C]=N1

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
116.46	53.90	11.62	12.71	13.49	13.96	14.14	13.85	13.58
141.64	58.66	12.26	12.27	12.09	11.96	12.26	12.72	12.15

thermo: Thermo group additivity estimation: group(O2s-CdN3d) + group(N3d-OCd) + group(Cd-HN3dO) + ring(Cyclopropene) + radical(CdJ-NdO)
thermo: Thermo group additivity estimation: group(O2s-CdN3d) + group(N3d-OCd) + group(Cd-HN3dO) + ring(oxirene) + radical(CdJ-NdO)

Non-identical kinetics! ❌
original:
rxn: NCO(66) <=> O1[C]=N1(126) origin: Intra_R_Add_Endocyclic
tested:
rxn: NCO(66) <=> O1[C]=N1(126) origin: Intra_R_Add_Endocyclic

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-49.54	-33.65	-24.16	-17.85	-10.01	-5.35	0.80	3.82
k(T):	-66.25	-46.19	-34.19	-26.21	-16.28	-10.36	-2.54	1.31

kinetics: Arrhenius(A=(6.95187e+18,'s^-1'), n=-1.628, Ea=(88.327,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H""")
kinetics: Arrhenius(A=(6.95187e+18,'s^-1'), n=-1.628, Ea=(111.271,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H""")
Identical kinetics comments:
kinetics: Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H

Details

Observables Test Case: NC Comparison

✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions!

nitrogen Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall'

Regression test oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:30
Current: Execution time (DD:HH:MM:SS): 00:00:01:31
Reference: Memory used: 2736.71 MB
Current: Memory used: 2142.37 MB

oxidation Passed Core Comparison ✅

Original model has 59 species.
Test model has 59 species. ✅
Original model has 694 reactions.
Test model has 694 reactions. ✅

oxidation Passed Edge Comparison ✅

Original model has 230 species.
Test model has 230 species. ✅
Original model has 1526 reactions.
Test model has 1526 reactions. ✅

Details

Observables Test Case: Oxidation Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test sulfur:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:56
Current: Execution time (DD:HH:MM:SS): 00:00:00:39
Reference: Memory used: 2840.98 MB
Current: Memory used: 2213.58 MB

sulfur Passed Core Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 74 reactions.
Test model has 74 reactions. ✅

sulfur Failed Edge Comparison ❌

Original model has 89 species.
Test model has 89 species. ✅
Original model has 227 reactions.
Test model has 227 reactions. ✅
The original model has 1 reactions that the tested model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary
The tested model has 1 reactions that the original model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary

Details

Observables Test Case: SO2 Comparison

The following observables did not match:

❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 0.01 s
T0: 900 K
P0: 30 bar
Initial Mole Fractions: {'S': 0.000756, '[O][O]': 0.00129, 'N#N': 0.997954}

sulfur Failed Observable Testing ❌

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall'

Regression test superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:39
Current: Execution time (DD:HH:MM:SS): 00:00:00:26
Reference: Memory used: 2926.44 MB
Current: Memory used: 2301.77 MB

superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 21 reactions.
Test model has 21 reactions. ✅

superminimal Failed Edge Comparison ❌

Original model has 18 species.
Test model has 18 species. ✅
Original model has 28 reactions.
Test model has 28 reactions. ✅

Non-identical thermo! ❌
original: [O]OOO
tested: [O]OOO

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
20.55	73.45	16.83	18.19	18.99	19.52	20.44	21.47	23.15
20.55	74.76	16.83	18.19	18.99	19.52	20.44	21.47	23.15

Identical thermo comments:
thermo: QM MopacMolPM3 calculation attempt 1 + radical(ROOJ)

Regression test RMS_constantVIdealGasReactor_superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:25
Current: Execution time (DD:HH:MM:SS): 00:00:01:23
Reference: Memory used: 3471.72 MB
Current: Memory used: 2322.03 MB

RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall'

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:00:22:29
Reference: Memory used: 3467.10 MB
Current: Memory used: 3423.21 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Original model has 37 species.
Test model has 35 species. ❌
Original model has 202 reactions.
Test model has 173 reactions. ❌
The original model has 11 species that the tested model does not have. ❌
spc: CCH2
spc: C=CC(18)
spc: CC(=O)CC(C)OO(95)
spc: CC(CC(C)OO)OO(98)
spc: C=CCC(C)O(152)
spc: CCCOO
spc: CCC(156)
spc: CCCOO(159)
spc: CCCO
spc: CCC=O(180)
spc: C=O(191)
The tested model has 9 species that the original model does not have. ❌
spc: CH3
spc: CC=CCC(16)
spc: [CH2]CC(CC)OO(32)
spc: CCC([O])CC(41)
spc: C[CH]CCCOO(75)
spc: CCCCCO
spc: CC1CC(C)O1(87)
spc: CC=CC(C)OO(88)
spc: C=CCC(C)OO(89)
The original model has 104 reactions that the tested model does not have. ❌
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CC(5) <=> pentane(2) origin: R_Recombination
rxn: C[CH]CCC(11) <=> C[CH2](6) + C=CC(18) origin: R_Addition_MultipleBond
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
The tested model has 75 reactions that the original model does not have. ❌
rxn: oxygen(1) + CC[CH]CC(7) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]CCC(11) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: [O]O(13) + CC[CH]CC(7) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: [O]O(13) + C[CH]CCC(11) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: CC[CH]CC(7) + CC[CH]CC(7) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CCC(CC)O[O](21) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CCCC(C)O[O](22) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC[CH]CC(7) + CCC(CC)O[O](21) <=> CC=CCC(16) + CCC(CC)OO(26) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)O[O](22) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(37) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + CCC(CC)O[O](21) <=> CC=CCC(16) + CCC(CC)OO(26) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)O[O](22) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(37) <=> CC=CCC(16) + CCCC(C)OO(27) origin: Disproportionation
rxn: oxygen(1) + C[CH]CC(C)OO(37) <=> [O]O(13) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: CCC(CC)O[O](21) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + CCC(CC)OO(26) origin: Disproportionation
rxn: CCCC(C)O[O](22) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + CCCC(C)OO(27) origin: Disproportionation
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(37) <=> CC=CC(C)OO(88) + CCCCCOO(78) origin: Disproportionation
rxn: CCC(CC)O[O](21) <=> [CH2]CC(CC)OO(32) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CC(CC)OO(32) <=> oxygen(1) + CCC(CC)OO(26) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(CC)OO(32) <=> [O]O(13) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCC(CC)OO(26) <=> CCC(CC)O[O](21) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> [CH2]CCCC(12) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(26) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(26) origin: Disproportionation
rxn: [CH2]CC(CC)OO(32) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [OH](24) + CCC(CC)OO(26) <=> O(42) + [CH2]CC(CC)OO(32) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCC(C)OO(27) <=> C[CH]CC(C)OO(37) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [OH](24) + CCCCC[O](79) <=> CCCCCOO(78) origin: R_Recombination
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + [OH](24) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)[O](44) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCC(CC)OO(26) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCC(CC)O[O](21) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(27) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCC(C)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC[O](79) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCCCOO(78) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) <=> C[CH]CCCOO(75) origin: intra_H_migration
rxn: [O]O(13) + C[CH]CCCOO(75) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + C[CH]CCCOO(75) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> C[CH]CCCOO(75) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCCOO(75) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(75) + CCC(CC)OO(26) <=> CCC(CC)O[O](21) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(75) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> C[CH]CCCOO(75) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + C[CH]CCCOO(75) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCCOO(75) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(75) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](24) + CCCCCOO(78) <=> O(42) + C[CH]CCCOO(75) origin: H_Abstraction
rxn: C[CH]CCCOO(75) + CCCC(C)OO(27) <=> C[CH]CC(C)OO(37) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + CCC(CC)O[O](21) <=> oxygen(1) + [OH](24) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](21) + CCC(CC)O[O](21) <=> oxygen(1) + CCC([O])CC(41) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](21) + CCCC(C)O[O](22) <=> oxygen(1) + CCC([O])CC(41) + CCCC(C)[O](44) origin: Peroxyl_Disproportionation
rxn: [OH](24) + CCC([O])CC(41) <=> CCC(CC)OO(26) origin: R_Recombination
rxn: CCC(CC)OO(26) + CCC(CC)OO(26) <=> O(42) + CCC([O])CC(41) + CCC(CC)O[O](21) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(26) + CCCC(C)OO(27) <=> O(42) + CCC([O])CC(41) + CCCC(C)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](21) + CCCCCO[O](61) <=> oxygen(1) + CCC([O])CC(41) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCC(CC)OO(26) + CCCCCOO(78) <=> O(42) + CCC([O])CC(41) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OO(26) <=> [O]O(13) + O(42) + CCC([O])CC(41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(37) <=> [OH](24) + CC1CC(C)O1(87) origin: Cyclic_Ether_Formation
rxn: oxygen(1) + C[CH]CC(C)OO(37) <=> [O]O(13) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(37) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(37) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: CCC(CC)O[O](21) + C[CH]CC(C)OO(37) <=> C=CCC(C)OO(89) + CCC(CC)OO(26) origin: Disproportionation
rxn: CCCC(C)O[O](22) + C[CH]CC(C)OO(37) <=> C=CCC(C)OO(89) + CCCC(C)OO(27) origin: Disproportionation
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(37) <=> C=CCC(C)OO(89) + CCCCCOO(78) origin: Disproportionation

RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌

Original model has 248 species.
Test model has 107 species. ❌
Original model has 2057 reactions.
Test model has 549 reactions. ❌
The original model has 141 species that the tested model does not have. ❌
spc: [O]OOO(21)
spc: CCCC(C)OOOO
spc: CCC(CC)OOOO
spc: CCCCCOOOO
spc: CC(CCOO)OO
spc: CC(CCO[O])OO(93)
spc: CC1CC(C)OOO1(94)
spc: CC(=O)CC(C)OO(95)
spc: CC([CH]C(C)OO)OO(96)
spc: [CH2]C(CC(C)OO)OO(97)
spc: CC(CC(C)OO)OO(98)
spc: CC([O])CC(C)OO(99)
spc: CC(O)CC(C)OO(101)
spc: [C-]#O+
spc: CC(=O)CCOO(103)
spc: C=C(C)OC(C)OO(104)
spc: CC(O)=CC(C)OO(105)
spc: C=C(O)CC(C)OO(106)
spc: CC1CC(C)(O)OO1(107)
spc: CC(=O)CC(C)O
spc: C[CH]CC(C)=O(109)
spc: CC(=O)CC(C)OO
spc: C=C(C)O
spc: CC(=O)C[CH]OO(112)
spc: CCOO(113)
spc: C[C]=O(114)
spc: CC([O])=CC(C)OO(115)
spc: [CH2]C(CC(C)=O)OO(116)
spc: CC(C[C]=O)OO(117)
spc: C=C([O])CC(C)OO(118)
spc: C=C(C)O(119)
spc: C=COO(120)
spc: CC(CCOO)OO(121)
spc: CC(C[CH]OO)OO(122)
spc: CCOO(123)
spc: CCCC(C)OO(133)
spc: CC(CC(C)([O])O)OO(137)
spc: [O]OO(138)
spc: CC(=O)CC(C)OOO
spc: C[CH]C(144)
spc: C(145)
spc: C=CO(146)
spc: [CH]=O(147)
spc: C=CO
spc: [CH2]CCCO(149)
spc: [CH2]CC=CC(150)
spc: [CH2]CO(151)
spc: C=CCC(C)O(152)
spc: [CH2]C(C)O(153)
spc: CCCOO
spc: CC(O)CCCOO
spc: CCC(156)
spc: C[CH]O(157)
spc: CCO
spc: CCCOO(159)
spc: CC(O)OO
spc: C[CH]OOO(161)
spc: CC([O])OO(162)
spc: CC(O)CCCOO(163)
spc: CCCO(164)
spc: CC([O])O(165)
spc: C[CH]OCCC(166)
spc: CC1OOC1C(167)
spc: C=COOCC(168)
spc: C=COC(C)O(169)
spc: CCOO
spc: C=[C]C(171)
spc: [CH]=CC(172)
spc: C[C]C(173)
spc: [CH]CC(174)
spc: CC(175)
spc: C[CH]COO(176)
spc: CCCOOOO
spc: CC(C)OO
spc: CCCO
spc: CCC=O(180)
spc: CCCOOOO(181)
spc: CC(C)O(182)
spc: CC1COC1C(183)
spc: C=COC(C)C(184)
spc: C=COCCC(185)
spc: C=CCOCC(186)
spc: C[CH]OOOCCC(187)
spc: CCCOOC(C)O
spc: CCCOOO
spc: CCCOOO(190)
spc: C=O(191)
spc: CC[CH]O(192)
spc: C[CH]CO(193)
spc: [CH2]CCO(194)
spc: CCOO(195)
spc: C=CCCO(196)
spc: C=CC=CC(197)
spc: C=CCC=C(198)
spc: C=CCC(C)O
spc: C=CC[CH]O(200)
spc: C=CCCO(201)
spc: C=C[CH]C(C)O(202)
spc: [CH2]C(O)CC=C(203)
spc: C=[C]CC(C)O(204)
spc: [CH]=CCC(C)O(205)
spc: C[C]CC(C)O(206)
spc: [CH]CCC(C)O(207)
spc: CC(O)CCCO(208)
spc: CC(O)CC(C)O(209)
spc: C[CH]OOCCC(210)
spc: CCCOC(C)O
spc: C=COC(212)
spc: CC=CO(213)
spc: CC=CO
spc: [CH2]CC=O(215)
spc: CC[C]=O(216)
spc: [H]H
spc: [CH2]O(218)
spc: CO
spc: CCC(O)OO
spc: CC[CH]OOO(221)
spc: CCC([O])OO(222)
spc: [O]OCO(223)
spc: [CH2]OOO(224)
spc: [O]COO(225)
spc: CCC1OOC1C(226)
spc: C=COOCCC(227)
spc: C=COC(O)CC(228)
spc: CC=COOCC(229)
spc: CC=COC(C)O(230)
spc: CC1COO1(231)
spc: C=COOC(232)
spc: C=COCO(233)
spc: C[CH]OCC(234)
spc: CC1CCO1(235)
spc: CC1COC1(236)
spc: C=CCOC(237)
spc: CCCOOCC(238)
spc: CCC1COO1(239)
spc: CC=COOC(240)
spc: CC=COCO(241)
spc: CC[CH]OCC(242)
spc: C1COO1(243)
spc: [CH2]OCC(244)
spc: COO
The original model has 1508 reactions that the tested model does not have. ❌
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: oxygen(1) + [O]O(13) <=> [O]OOO(21) origin: R_Recombination
rxn: oxygen(1) + CCCC(C)O[O](20) <=> CCCC(C)OOO[O](39) origin: R_Recombination
rxn: oxygen(1) + CCC(CC)O[O](22) <=> CCC(CC)OOO[O](40) origin: R_Recombination
rxn: oxygen(1) + CCCCCO[O](61) <=> CCCCCOOO[O](77) origin: R_Recombination
rxn: [CH2](3) + CC(CCOO)O[O](92) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(CCO[O])OO(93) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC1CC(C)OOO1(94) origin: Cyclic_Ether_Formation
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC=CC(C)OO(88) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + C=CCC(C)OO(89) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [CH2]C(CC(C)OO)OO(97) origin: intra_H_migration
rxn: [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + [OH](25) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)[O](41) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)=O(31) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC([O])CC(44) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC(=O)CC(36) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC[C](C)OO(55) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC[O](79) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC=O(62) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCO(100) origin: Peroxyl_Termination
rxn: C=CC[CH]C(69) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=CCCC(17) + CC(CC(C)OO)O[O](91) <=> [CH2]C=CCC(71) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]CCC(73) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC([O])CC(C)OO(99) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CCC(C)OO(52) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC(=O)CCOO(103) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_carbene
rxn: C=C(C)OC(C)OO(104) <=> CC(=O)CC(C)OO(95) origin: 1,3_sigmatropic_rearrangement
rxn: CC(O)=CC(C)OO(105) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: C=C(O)CC(C)OO(106) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: CC(=O)CC(C)OO(95) <=> CC1CC(C)(O)OO1(107) origin: Korcek_step1
rxn: [OH](25) + CC(=O)CC(C)[O](108) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC(C)=O(109) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC(=O)CC(C)O[O](110) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[CH]OO(53) + C=C(C)[O](111) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(=O)C[CH]OO(112) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)=O)OO(113) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[C]=O(114) + [CH2]C(C)OO(56) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC([O])=CC(C)OO(115) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)=O)OO(116) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(C[C]=O)OO(117) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C=C([O])CC(C)OO(118) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: CC(=O)CC(C)OO(95) <=> C=COO(120) + C=C(C)O(119) origin: Retroene
rxn: [CH2](3) + CC(CCOO)OO(121) <=> CC(CC(C)OO)OO(98) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC(CC(C)OO)O[O](91) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]OO(53) + [CH2]C(C)OO(56) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH3](10) + CC(C[CH]OO)OO(122) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)OO)OO(123) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [O]O(13) + CC(=O)CC(C)O[O](110) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)=O)OO(113) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC([O])=CC(C)OO(115) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)=O)OO(116) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C=C([O])CC(C)OO(118) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)OO)OO(123) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CC([CH]C(C)OO)OO(96) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)OO)OO(97) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: oxygen(1) + C[C](O)CC(C)OO(133) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: oxygen(1) + CC([O])CC(C)OO(99) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)O[O](110) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)=O)OO(113) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + CC([O])=CC(C)OO(115) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)=O)OO(116) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC(=O)CC(C)OO(95) <=> OO(23) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)OO)OO(123) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + CC([CH]C(C)OO)OO(96) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)OO)OO(97) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) <=> CC([O])=CC(C)OO(115) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> [CH2]CCCC(12) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)[O](108) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)O[O](20) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)[O](108) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)O[O](110) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](22) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC([O])CC(44) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> C[C](CC(C)OO)OO(123) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> CC(CC(C)([O])O)OO(137) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCO[O](61) <=> CC([O])=CC(C)OO(115) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C=CC[CH]C(69) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[CH]C(69) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [O]O(13) + O(42) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [OH](25) + O(42) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[C](O)CC(C)OO(133) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [O]O(13) + CC([O])CC(C)OO(99) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [O]O(13) + O(42) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)[O](108) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCC[O](79) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> CC=CC(C)OO(88) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)OO(89) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C=C([O])CC(C)OO(118) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC(=O)CC(C)O[O](110) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC([O])=CC(C)OO(115) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) <=> CCCC(C)=O(31) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + C[C](O)CC(C)OO(133) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)[O](108) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)O[O](110) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)[O](108) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[C](O)CC(C)OO(133) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(CC(C)OO)OO(98) + CC(CC(C)OO)OO(98) <=> O(42) + CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]OO(138) + CCCC(C)O[O](20) <=> oxygen(1) + [O]O(13) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCC(C)OO[O](48) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCC(CC)OO[O](49) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + OO(23) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCCCOO[O](139) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CC(=O)CC(C)OO[O](140) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCC(C)OOO(135) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OOO(142) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOOO(143) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + C[CH2](6) <=> [CH2]CC(5) origin: 1,2_Insertion_carbene
rxn: [CH2]CC(5) <=> [H](8) + C=CC(18) origin: R_Addition_MultipleBond
rxn: [CH3](10) + C=C(50) <=> [CH2]CC(5) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) <=> [CH2]CC(5) origin: intra_H_migration
rxn: [C-]#[O+](102) + C(145) <=> CC=O(126) origin: 1,2_Insertion_CO
rxn: C=CO(146) <=> CC=O(126) origin: Ketoenol
rxn: [CH]=O(147) + [CH3](10) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C=C[O](148) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C[C]=O(114) <=> CC=O(126) origin: R_Recombination
rxn: [CH2](3) + [CH2]CCCO(149) <=> [CH2]CCC(C)O(132) origin: 1,2_Insertion_carbene
rxn: O(42) + [CH2]CC=CC(150) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: O(42) + [CH2]CCC=C(72) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [CH2]CO(151) + C=CC(18) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [H](8) + C=CCC(C)O(152) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: C=C(50) + [CH2]C(C)O(153) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: [CH2]CCC(C)O(132) <=> C[CH]CC(C)O(131) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CC[CH]C(C)O(129) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CCC[C](C)O(128) origin: intra_H_migration
rxn: [CH2]C(O)CCC(130) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: [O]O(13) + C=C[O](148) <=> oxygen(1) + CC=O(126) origin: H_Abstraction
rxn: oxygen(1) + CC=O(126) <=> [O]O(13) + C[C]=O(114) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> CC(O)CCCO[O](155) origin: R_Recombination
rxn: C[CH]O(157) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + C[CH]CCC(11) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CCC(11) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: oxygen(1) + C[CH]O(157) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: oxygen(1) + CC[O](158) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: CC(O)O[O](160) <=> [O]O(13) + CC=O(126) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C=C[O](148) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C[C]=O(114) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> C[CH]OOO(161) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=O(126) <=> CC([O])OO(162) origin: R_Addition_MultipleBond
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> CC(O)CCCOO(163) origin: R_Recombination
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + CC[CH]CC(7) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + CC[CH]CC(7) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C]=O(114) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C[O](148) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C]=O(114) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CCC)OO(33) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)OO(35) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]O(157) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC(156) + [CH2]CC(CC)OO(38) <=> [CH2]CC(5) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]O(157) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + [CH2]CC(5) <=> CCCO(164) origin: R_Recombination
rxn: [OH](25) + CC=O(126) <=> O(42) + C=C[O](148) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> O(42) + C[C]=O(114) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> C[CH]OO(53) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC=O(126) <=> CC([O])O(165) origin: R_Addition_MultipleBond
rxn: C=C[O](148) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C]=O(114) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC=C(72) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + C=[C]CCC(73) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + [CH]=CCCC(74) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]O(157) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [O]O(13) + C[CH]O(157) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: [O]O(13) + CC[O](158) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: OO(23) + [CH2]CCC(C)O(132) <=> [O]O(13) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCCOO(66) <=> [CH2]CC(5) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]O(157) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + CC=CC(C)OO(88) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C=C[O](148) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C[C]=O(114) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C]=O(114) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + C[CH]O(157) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CC[O](158) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)=O)OO(116) <=> [CH2]CC(5) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: C[CH]O(157) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) <=> CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)OO)OO(97) <=> [CH2]CC(5) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]O(157) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> CCC(156) + CCCC(C)=O(31) origin: Disproportionation
rxn: CC=O(126) + CCCC(C)[O](41) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + CCCC(C)[O](41) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + [CH2]CC(5) <=> C=C[O](148) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[C]=O(114) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[CH]OCCC(166) origin: R_Addition_MultipleBond
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + CC=O(126) <=> CC1OOC1C(167) origin: 2+2_cycloaddition
rxn: C=C[O](148) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=C[O](148) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=COOCC(168) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: C=COC(C)O(169) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCO[O](170) + CCCC(C)OO[O](48) <=> oxygen(1) + CC=O(126) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCC(CC)OO[O](49) <=> oxygen(1) + CC=O(126) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCO[O](170) <=> oxygen(1) + OO(23) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCCCOO[O](139) <=> oxygen(1) + CC=O(126) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CCO[O](170) <=> oxygen(1) + O(42) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CC=O(126) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: [CH2](3) + C=C(50) <=> C=CC(18) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + [CH]=C(70) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH2]C=C(67) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + C=[C]C(171) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH]=CC(172) <=> C=CC(18) origin: R_Recombination
rxn: C[C]C(173) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CC(174) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + C[CH2](6) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + C[CH]C(144) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + [CH2]CC(5) <=> CCC(156) origin: R_Recombination
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: CCCO[O](154) <=> CC[CH]OO(58) origin: intra_H_migration
rxn: CCCO[O](154) <=> C[CH]COO(176) origin: intra_H_migration
rxn: CCCO[O](154) <=> [CH2]CCOO(81) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C=C(67) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=[C]C(171) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: oxygen(1) + C=CC(18) <=> [O]O(13) + [CH]=CC(172) origin: H_Abstraction
rxn: oxygen(1) + CCC(156) <=> [O]O(13) + C[CH]C(144) origin: H_Abstraction
rxn: oxygen(1) + CCCO[O](154) <=> CCCOOO[O](177) origin: R_Recombination
rxn: C[CH]C(144) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C=CC(18) + C[CH]CCC(11) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(144) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: CC(C)O[O](178) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + [CH2]C=C(67) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + C=[C]C(171) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + [CH]=CC(172) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=CC(18) <=> [CH2]C(C)OO(56) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=CC(18) <=> C[CH]COO(176) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC(156) <=> OO(23) + C[CH]C(144) origin: H_Abstraction
rxn: [O]O(13) + CCCO[O](154) <=> CCCOOOO(181) origin: R_Recombination
rxn: C=CC(18) + CC[CH]CC(7) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCO[O](154) + CC[CH]CC(7) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCCO(164) + CCCC(C)=O(31) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC=O(180) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: [CH2]C=C(67) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]C(171) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CC(172) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC[O](179) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCCO(164) + CCC(=O)CC(36) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC=O(180) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: C=CC(18) + [CH2]CCCC(12) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> C[CH]C(144) + pentane(2) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCOO(159) + CCC[C](C)OO(55) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]C(C)OO(32) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CCC)OO(33) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)OO(35) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCOO(159) + CC[C](CC)OO(59) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]C(CC)OO(37) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CC(CC)OO(38) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C=C(67) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]C(171) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[CH]C(144) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC[O](179) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCCO(164) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC=O(180) + CCCCCO(100) origin: Peroxyl_Termination
rxn: [CH2]CC(5) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + C=CC[CH]C(69) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO[O](154) + C=CCCC(17) <=> CCCOO(159) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC=C(72) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + C=[C]CCC(73) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + [CH]=CCCC(74) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: [O]O(13) + C[CH]C(144) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: CCCOO(159) + CC[CH]CCOO(64) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCC[CH]COO(63) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCCOO(65) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCCC[CH]OO(84) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCCOO(66) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + C=CCC(C)OO(89) origin: Disproportionation
rxn: [CH2]C=C(67) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]C(171) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CC(172) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC[O](179) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCO(164) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC=O(180) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: O(42) + C=CC(18) <=> CCCO(164) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CC(18) <=> CC(C)O(182) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]C(144) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCOO(159) + CC(=O)CC(C)O[O](110) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C[C](CC(C)=O)OO(113) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCO[O](154) + CC(=O)CC(C)OO(95) <=> CCCOO(159) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)=O)OO(116) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C=C([O])CC(C)OO(118) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCOO(159) + C[C](CC(C)OO)OO(123) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + CC([CH]C(C)OO)OO(96) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)OO)OO(97) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(156) <=> C[CH]C(144) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + C=CC(18) <=> CC1COC1C(183) origin: 2+2_cycloaddition
rxn: CC=O(126) + C=CC(18) <=> CC1CC(C)O1(87) origin: 2+2_cycloaddition
rxn: C=C[O](148) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=C[O](148) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=COC(C)C(184) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=COCCC(185) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=CCOCC(186) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C[CH]O(157) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C=C[O](148) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: C[C]=O(114) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: CC=O(126) + CCCO[O](154) <=> C[CH]OOOCCC(187) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCCO[O](154) <=> CCCOOC(C)[O](188) origin: R_Addition_MultipleBond
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> C[CH]C(144) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> [CH2]CC(5) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C=C(67) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(144) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C=[C]C(171) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH]C(144) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC=O(180) + CCCO(164) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCOO[O](189) <=> oxygen(1) + [O]O(13) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCO[O](154) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCO[O](154) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCCCOO[O](139) <=> oxygen(1) + CCCO[O](154) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCOO[O](189) <=> oxygen(1) + CCCO[O](154) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO(159) + CCCC(C)OOO(135) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OOO(142) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOOO(143) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOOO(190) <=> O(42) + CCCO[O](154) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCC=O(180) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) <=> CC[CH]O(192) origin: intra_H_migration
rxn: C[CH]CO(193) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2]CCO(194) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCO[O](154) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2]OO(82) + C[CH2](6) <=> CCCOO(159) origin: R_Recombination
rxn: [CH3](10) + [CH2]COO(80) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + C[CH]COO(176) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + CC[CH]OO(58) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + [CH2]CCOO(81) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2](3) + C=CCCO(196) <=> C=CCC(C)O(152) origin: 1,2_Insertion_carbene
rxn: O(42) + C=CC=CC(197) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC=C(198) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: C=CO(146) + C=CC(18) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C=CC[CH]C(69) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CCC(C)[O](199) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C[CH]O(157) + [CH2]C=C(67) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH3](10) + C=CC[CH]O(200) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CC[C](C)O(201) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH]=C(70) + [CH2]C(C)O(153) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=C[CH]C(C)O(202) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CC=C(203) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=[C]CC(C)O(204) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH]=CCC(C)O(205) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C=CCC(C)O(152) <=> C=CO(146) + C=CC(18) origin: Retroene
rxn: C[C]CC(C)O(206) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CCC(C)O(207) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: oxygen(1) + CCC[O](179) <=> CCCOO[O](189) origin: R_Recombination
rxn: [O]O(13) + C[CH]COO(176) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]OO(58) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCOO(81) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]OO(58) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> oxygen(1) + CCCO(164) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> CCCOOO(190) origin: R_Recombination
rxn: OO(23) + C[CH]COO(176) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CCCOO(159) <=> OO(23) + CC[CH]OO(58) origin: H_Abstraction
rxn: OO(23) + [CH2]CCOO(81) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]CC(7) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]COO(176) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> C[CH]COO(176) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: C[CH]CC(C)O(131) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]COO(176) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: CCCO(164) + C=[C]CCC(73) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO(164) + [CH]=CCCC(74) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]COO(176) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C=CC[CH]C(69) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [O]O(13) + CCCO(164) <=> OO(23) + CCC[O](179) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCC[CH]COO(63) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC(18) + C[CH]CC(C)OO(34) <=> [CH2]C=C(67) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]OO(58) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + CCCO(164) <=> O(42) + CCC[O](179) origin: H_Abstraction
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CCCO(208) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CC(C)O(209) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]CC(C)O(131) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCC[O](179) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCCO[O](154) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCO[O](154) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCO[O](154) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> C[CH]COO(176) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCOO(159) <=> CC[CH]OO(58) + CCC(156) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(156) <=> [CH2]CC(5) + CCCOO(159) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C=C[O](148) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[C]=O(114) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[CH]OOCCC(210) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCC[O](179) <=> CCCOC(C)[O](211) origin: R_Addition_MultipleBond
rxn: C[CH]O(157) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CCCO[O](154) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> C[CH]COO(176) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CC[CH]OO(58) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)O(46) <=> CCCOO(159) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=CC(18) + CCC[O](179) <=> [CH2]C=C(67) + CCCO(164) origin: H_Abstraction
rxn: C=[C]C(171) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO(164) <=> CCC[O](179) + CCC(156) origin: H_Abstraction
rxn: CCC[O](179) + CCC(156) <=> [CH2]CC(5) + CCCO(164) origin: H_Abstraction
rxn: C[CH]C(144) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]COO(176) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CCC[O](179) <=> CCC=O(180) + CCCO(164) origin: Disproportionation
rxn: CCC[O](179) + CCCOO(159) <=> CCCO[O](154) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> C[CH]COO(176) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> CC[CH]OO(58) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> [CH2]CCOO(81) + CCCO(164) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCOO(159) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCOO[O](189) <=> oxygen(1) + CC=O(126) + CCCOO(159) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CC(175) <=> CCC=O(180) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC=O(126) <=> CCC=O(180) origin: 1,2_Insertion_carbene
rxn: C=COC(212) <=> CCC=O(180) origin: 1,3_sigmatropic_rearrangement
rxn: CC=CO(213) <=> CCC=O(180) origin: Ketoenol
rxn: [CH3](10) + C=C[O](148) <=> CCC=O(180) origin: R_Recombination
rxn: [CH]=O(147) + C[CH2](6) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC=C[O](214) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + [CH2]CC=O(215) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC[C]=O(216) <=> CCC=O(180) origin: R_Recombination
rxn: [H][H](217) + [C-]#[O+](102) <=> C=O(191) origin: 1,2_Insertion_CO
rxn: [H](8) + [CH]=O(147) <=> C=O(191) origin: R_Recombination
rxn: [H](8) + C=C(50) <=> C[CH2](6) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=C[O](214) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CC=O(215) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: oxygen(1) + CCC=O(180) <=> [O]O(13) + CC[C]=O(216) origin: H_Abstraction
rxn: oxygen(1) + C=O(191) <=> [O]O(13) + [CH]=O(147) origin: H_Abstraction
rxn: oxygen(1) + C[CH2](6) <=> [O]O(13) + C=C(50) origin: Disproportionation
rxn: CCO[O](170) <=> oxygen(1) + C[CH2](6) origin: R_Recombination
rxn: CC[CH]O(192) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + pentane(2) <=> CC(175) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + C[CH]CCC(11) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CCC(11) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: oxygen(1) + CC[CH]O(192) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC(O)O[O](220) <=> [O]O(13) + CCC=O(180) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + CC=C[O](214) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + [CH2]CC=O(215) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + CC[C]=O(216) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + CCC=O(180) <=> CC[CH]OOO(221) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC=O(180) <=> CCC([O])OO(222) origin: R_Addition_MultipleBond
rxn: oxygen(1) + [CH2]O(218) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: oxygen(1) + C[O](219) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: [O]OCO(223) <=> [O]O(13) + C=O(191) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + C=O(191) <=> OO(23) + [CH]=O(147) origin: H_Abstraction
rxn: [O]O(13) + C=O(191) <=> [CH2]OOO(224) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=O(191) <=> [O]COO(225) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C[CH2](6) <=> OO(23) + C=C(50) origin: Disproportionation
rxn: oxygen(1) + CC(175) <=> [O]O(13) + C[CH2](6) origin: H_Abstraction
rxn: [O]O(13) + C[CH2](6) <=> CCOO(195) origin: R_Recombination
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + CC[CH]CC(7) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + CC[CH]CC(7) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + CC[CH]CC(7) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: CC=C[O](214) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=O(191) + CCCC(C)O[O](20) <=> [CH]=O(147) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)O[O](20) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC=C[O](214) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[C]=O(216) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=O(191) + CCC(CC)O[O](22) <=> [CH]=O(147) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)O[O](22) <=> C=C(50) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + [CH2]CCCC(12) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + [CH2]CCCC(12) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CCCC(12) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(175) + CCCC(C)O[O](20) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CCC)OO(33) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC(C)OO(35) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]O(192) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(175) + CCC(CC)O[O](22) <=> C[CH2](6) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CC=C[O](214) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=O(191) + CCCCCO[O](61) <=> [CH]=O(147) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCO[O](61) <=> C=C(50) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CCCC(12) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]CCC(11) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CC(175) + [CH2]C=CCC(71) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC=C(72) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=[C]CCC(73) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]O(192) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: [O]O(13) + [CH2]O(218) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + C[O](219) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + CC(175) <=> OO(23) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: CC(175) + CCCCCO[O](61) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCC[CH]COO(63) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CC(175) + [CH2]CCCCOO(66) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC=C[O](214) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC[C]=O(216) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + CC=CC(C)OO(88) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=C[O](214) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[C]=O(216) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=O(147) + CC(CC(C)OO)OO(98) <=> C=O(191) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)O[O](91) <=> C=C(50) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + CC[CH]O(192) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [OH](25) + [CH2]O(218) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + C[O](219) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + CC(175) <=> O(42) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + C[C](O)CC(C)OO(133) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + CC([O])CC(C)OO(99) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(175) + CC(=O)CC(C)O[O](110) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)=O)OO(116) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(175) + CC(CC(C)OO)O[O](91) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)OO)OO(97) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC=O(126) + CCC=O(180) <=> CCC1OOC1C(226) origin: 2+2_cycloaddition
rxn: C=C[O](148) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=C[O](148) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=COOCCC(227) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=COC(O)CC(228) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COOCC(229) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COC(C)O(230) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=O(191) + CC=O(126) <=> CC1COO1(231) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH2]O(218) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]O(157) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + CC[O](158) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C=COOC(232) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: C=COCO(233) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: CC=O(126) + C[CH2](6) <=> C=C[O](148) + CC(175) origin: H_Abstraction
rxn: C[C]=O(114) + CC(175) <=> CC=O(126) + C[CH2](6) origin: H_Abstraction
rxn: CC=O(126) + C[CH2](6) <=> C[CH]OCC(234) origin: R_Addition_MultipleBond
rxn: CC=O(126) + C[CH2](6) <=> CCC(C)[O](125) origin: R_Addition_MultipleBond
rxn: [CH2]C=C(67) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]C=C(67) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + C=CC(18) <=> CC1CCO1(235) origin: 2+2_cycloaddition
rxn: C=O(191) + C=CC(18) <=> CC1COC1(236) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CC(5) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]C(144) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C=CCOC(237) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: C=CCCO(196) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: CC(175) + [CH2]C=C(67) <=> C[CH2](6) + C=CC(18) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + C=[C]C(171) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + [CH]=CC(172) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> [CH2]C(C)CC(15) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: CC(175) + C[CH]C(144) <=> C[CH2](6) + CCC(156) origin: H_Abstraction
rxn: C[CH2](6) + CCC(156) <=> CC(175) + [CH2]CC(5) origin: H_Abstraction
rxn: CC=C[O](214) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH2](6) + CCCO[O](154) <=> C=C(50) + CCCOO(159) origin: Disproportionation
rxn: C[CH2](6) + CCCO[O](154) <=> CCCOOCC(238) origin: R_Recombination
rxn: CC[CH]O(192) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: CC(175) + CCCO[O](154) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + C[CH]COO(176) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + CC[CH]OO(58) origin: H_Abstraction
rxn: CC(175) + [CH2]CCOO(81) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: CC=C[O](214) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + CCC=O(180) <=> CCC1COO1(239) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CC[CH]O(192) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CCC[O](179) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: CC=COOC(240) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: CC=COCO(241) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: C[CH2](6) + CCC=O(180) <=> CC(175) + CC=C[O](214) origin: H_Abstraction
rxn: CC(175) + [CH2]CC=O(215) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: CC(175) + CC[C]=O(216) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: C[CH2](6) + CCC=O(180) <=> CC[CH]OCC(242) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CCC=O(180) <=> CCC([O])CC(44) origin: R_Addition_MultipleBond
rxn: C=O(191) + C=O(191) <=> C1COO1(243) origin: 2+2_cycloaddition
rxn: [CH]=O(147) + [CH2]O(218) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + C[O](219) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + CC(175) <=> C=O(191) + C[CH2](6) origin: H_Abstraction
rxn: C=O(191) + C[CH2](6) <=> [CH2]OCC(244) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + C[CH2](6) <=> C=C(50) + CC(175) origin: Disproportionation
rxn: C[CH2](6) + C[CH2](6) <=> CCCC(4) origin: R_Recombination
rxn: CCCO[O](154) + CCCC(C)OO[O](48) <=> oxygen(1) + CCC=O(180) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCC(C)OO[O](48) <=> oxygen(1) + C=O(191) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)OO[O](49) <=> oxygen(1) + CCC=O(180) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CO[O](245) + CCC(CC)OO[O](49) <=> oxygen(1) + C=O(191) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCO[O](154) <=> oxygen(1) + OO(23) + CCC=O(180) origin: Peroxyl_Termination
rxn: [O]OO(138) + CO[O](245) <=> oxygen(1) + OO(23) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCOO[O](139) <=> oxygen(1) + CCC=O(180) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCCCOO[O](139) <=> oxygen(1) + C=O(191) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CO[O](245) <=> oxygen(1) + O(42) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CCC=O(180) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CO[O](245) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + C=O(191) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCOO[O](189) <=> oxygen(1) + CCC=O(180) + CCCOO(159) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCOO[O](189) <=> oxygen(1) + C=O(191) + CCCOO(159) origin: Peroxyl_Termination

Details

Observables Test Case: RMS_CSTR_liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_CSTR_liquid_oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall'

Regression test fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:42
Current: Execution time (DD:HH:MM:SS): 00:00:00:31
Reference: Memory used: 2656.81 MB
Current: Memory used: 2104.76 MB

fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

fragment Passed Edge Comparison ✅

Original model has 33 species.
Test model has 33 species. ✅
Original model has 47 reactions.
Test model has 47 reactions. ✅

Details

Observables Test Case: fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test RMS_constantVIdealGasReactor_fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:03:08
Current: Execution time (DD:HH:MM:SS): 00:00:01:44
Reference: Memory used: 3624.92 MB
Current: Memory used: 2396.21 MB

RMS_constantVIdealGasReactor_fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

RMS_constantVIdealGasReactor_fragment Passed Edge Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 24 reactions.
Test model has 24 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test minimal_surface:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:45
Current: Execution time (DD:HH:MM:SS): 00:00:00:32
Reference: Memory used: 2840.60 MB
Current: Memory used: 2213.15 MB

minimal_surface Passed Core Comparison ✅

Original model has 11 species.
Test model has 11 species. ✅
Original model has 3 reactions.
Test model has 3 reactions. ✅

minimal_surface Passed Edge Comparison ✅

Original model has 38 species.
Test model has 38 species. ✅
Original model has 38 reactions.
Test model has 38 reactions. ✅

Details

Observables Test Case: minimal_surface Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

minimal_surface Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall'

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documentation/source/users/rmg/installation/anacondaDeveloper.rst

github-actions · 2025-06-03T18:49:08Z

Regression Testing Results

⚠️ One or more regression tests failed.
Please download the failed results and run the tests locally or check the log to see why.

Detailed regression test results.

Regression test aromatics:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:07
Current: Execution time (DD:HH:MM:SS): 00:00:00:49
Reference: Memory used: 2756.31 MB
Current: Memory used: 1973.78 MB

aromatics Passed Core Comparison ✅

Original model has 15 species.
Test model has 15 species. ✅
Original model has 11 reactions.
Test model has 11 reactions. ✅

aromatics Failed Edge Comparison ❌

Original model has 106 species.
Test model has 106 species. ✅
Original model has 358 reactions.
Test model has 358 reactions. ✅

Non-identical thermo! ❌
original: C=CC1C=CC2=CC1C=C2
tested: C=CC1C=CC2=CC1C=C2

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
83.22	82.78	35.48	45.14	53.78	61.40	73.58	82.20	95.08
83.22	84.16	35.48	45.14	53.78	61.40	73.58	82.20	95.08

Identical thermo comments:
thermo: Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cs-(Cds-Cds)(Cds-Cds)CsH) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds- CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsHH) + Estimated bicyclic component: polycyclic(s3_5_6_ane) - ring(Cyclohexane) - ring(Cyclopentane) + ring(1,3-Cyclohexadiene) + ring(Cyclopentadiene)

Non-identical thermo! ❌
original: C1=CC2C=CC=1C=C2
tested: C1=CC2C=CC=1C=C2

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
164.90	80.93	22.21	28.97	35.25	40.69	48.70	53.97	64.36
129.39	79.85	22.98	30.09	36.61	42.21	50.22	55.39	65.95

thermo: Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + Estimated bicyclic component: polycyclic(s4_6_6_ane) - ring(Cyclohexane) - ring(Cyclohexane) + ring(124cyclohexatriene) + ring(124cyclohexatriene)
thermo: Thermo group additivity estimation: group(Cs-(Cds-Cds)(Cds-Cds)(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)(Cds-Cds)) + group(Cds-CdsCsH) + group(Cds-CdsCsH) + group(Cds-Cds(Cds-Cds)H) + group(Cds-Cds(Cds-Cds)H) + group(Cds-CdsCsH) + group(Cdd-CdsCds) + Estimated bicyclic component: polycyclic(s4_6_6_ane) - ring(Cyclohexane) - ring(Cyclohexane) + ring(124cyclohexatriene) + ring(1,4-Cyclohexadiene)

Non-identical kinetics! ❌
original:
rxn: [c]1ccccc1(3) + C1=CC2C=C[C]1C=C2(49) <=> benzene(1) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [c]1ccccc1(3) + C1=CC2C=C[C]1C=C2(49) <=> benzene(1) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-3.00	-0.74	0.70	1.71	3.07	3.97	5.33	6.15
k(T):	4.24	4.69	5.05	5.33	5.79	6.14	6.78	7.23

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(9.943,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 38.5 to 41.6 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 38.5 to 41.6 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [H](4) + C1=CC2C=C[C]1C=C2(49) <=> [H][H](11) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [H](4) + C1=CC2C=C[C]1C=C2(49) <=> [H][H](11) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-7.44	-4.08	-2.05	-0.69	1.02	2.06	3.46	4.18
k(T):	5.77	5.83	5.88	5.92	5.97	6.02	6.10	6.16

kinetics: Arrhenius(A=(4.06926e+10,'cm^3/(mol*s)'), n=0.47, Ea=(18.137,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O Multiplied by reaction path degeneracy 3.0 Ea raised from 75.2 to 75.9 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(4.06926e+10,'cm^3/(mol*s)'), n=0.47, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O
Multiplied by reaction path degeneracy 3.0
Ea raised from 75.2 to 75.9 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]=C(7) + C1=CC2C=C[C]1C=C2(49) <=> C=C(13) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]=C(7) + C1=CC2C=C[C]1C=C2(49) <=> C=C(13) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-7.17	-3.66	-1.56	-0.16	1.60	2.65	4.05	4.75
k(T):	4.06	4.76	5.18	5.46	5.81	6.02	6.30	6.44

kinetics: Arrhenius(A=(7.23e+12,'cm^3/(mol*s)'), n=0, Ea=(19.262,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(7.23e+12,'cm^3/(mol*s)'), n=0, Ea=(3.841,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2CC2=C1(27) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2CC2=C1(27) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.48	-21.35	-15.79	-12.03	-7.23	-4.28	-0.16	2.03
k(T):	-4.55	-1.90	-0.23	0.94	2.49	3.50	5.02	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.659,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.063,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=C2C1(29) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=C2C1(29) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-31.23	-21.91	-16.23	-12.40	-7.51	-4.50	-0.31	1.91
k(T):	-5.30	-2.46	-0.68	0.57	2.21	3.28	4.87	5.80

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(48.686,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 202.2 to 203.7 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(13.089,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 53.5 to 54.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 202.2 to 203.7 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 53.5 to 54.8 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2=CC2C1(28) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]1C2=CC=CC12(8) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2=CC2C1(28) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-27.24	-18.91	-13.84	-10.40	-6.02	-3.30	0.48	2.51
k(T):	-1.38	0.48	1.67	2.52	3.68	4.45	5.66	6.39

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(43.208,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 180.2 to 180.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(7.718,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 180.2 to 180.8 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: [CH]=CC=C(15) + C1=CC2C=C[C]1C=C2(49) <=> C=CC=C(17) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation
tested:
rxn: [CH]=CC=C(15) + C1=CC2C=C[C]1C=C2(49) <=> C=CC=C(17) + C1=CC2C=CC=1C=C2(79) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-11.95	-7.61	-5.01	-3.27	-1.10	0.20	1.93	2.80
k(T):	-0.49	0.99	1.87	2.46	3.19	3.64	4.23	4.52

kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(23.821,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(8.084,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]=Cc1ccccc1(12) <=> C1=CC2C=CC=1C=C2(79) + C=Cc1ccccc1(16) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]=Cc1ccccc1(12) <=> C1=CC2C=CC=1C=C2(79) + C=Cc1ccccc1(16) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-12.28	-7.86	-5.21	-3.44	-1.23	0.10	1.87	2.75
k(T):	-0.66	0.85	1.76	2.37	3.13	3.58	4.19	4.49

kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(24.273,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
kinetics: Arrhenius(A=(2.529e+11,'cm^3/(mol*s)'), n=0, Ea=(8.328,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R Multiplied by reaction path degeneracy 3.0""")
Identical kinetics comments:
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R
Multiplied by reaction path degeneracy 3.0

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C1)C2(69) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C1)C2(69) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.44	-21.32	-15.76	-12.01	-7.22	-4.26	-0.16	2.03
k(T):	-4.51	-1.87	-0.20	0.96	2.51	3.52	5.03	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.606,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.1 to 199.2 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.01,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.5 to 50.2 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.1 to 199.2 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.5 to 50.2 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C2)C1(70) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC(=C2)C1(70) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-32.11	-22.57	-16.76	-12.84	-7.84	-4.76	-0.49	1.78
k(T):	-6.18	-3.12	-1.20	0.13	1.88	3.01	4.70	5.67

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(49.895,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 205.2 to 208.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(14.299,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 56.6 to 59.8 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 205.2 to 208.8 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 56.6 to 59.8 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2=CC(C=C2)C1(71) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + [CH]1C2=CC=CC1C=C2(48) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2=CC(C=C2)C1(71) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-33.97	-23.97	-17.88	-13.77	-8.54	-5.32	-0.86	1.50
k(T):	-8.04	-4.52	-2.32	-0.81	1.18	2.46	4.32	5.39

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(52.457,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 214.4 to 219.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(16.86,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 65.8 to 70.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 214.4 to 219.5 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 65.8 to 70.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1C=C2(82) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1C=C2(82) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-30.48	-21.35	-15.79	-12.03	-7.23	-4.28	-0.16	2.03
k(T):	-4.55	-1.90	-0.23	0.94	2.49	3.50	5.02	5.92

kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(47.659,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(17.1699,'cm^3/(mol*s)'), n=3.635, Ea=(12.063,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 3.0 Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 195.4 to 199.4 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 3.0
Ea raised from 46.8 to 50.5 kJ/mol to match endothermicity of reaction.

Non-identical kinetics! ❌
original:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1=CC2(83) origin: Disproportionation
tested:
rxn: C1=CC2C=C[C]1C=C2(49) + C1=CC2C=C[C]1C=C2(49) <=> C1=CC2C=CC=1C=C2(79) + C1=CC2C=CC1=CC2(83) origin: Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-19.49	-12.98	-9.00	-6.29	-2.81	-0.64	2.42	4.08
k(T):	3.96	4.60	5.07	5.43	5.98	6.39	7.11	7.60

kinetics: Arrhenius(A=(51.5097,'cm^3/(mol*s)'), n=3.635, Ea=(33.226,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 9.0 Ea raised from 133.4 to 139.0 kJ/mol to match endothermicity of reaction.""")
kinetics: Arrhenius(A=(51.5097,'cm^3/(mol*s)'), n=3.635, Ea=(1.036,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R Multiplied by reaction path degeneracy 9.0""")
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 9.0
Ea raised from 133.4 to 139.0 kJ/mol to match endothermicity of reaction.
kinetics: Estimated from node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R
Multiplied by reaction path degeneracy 9.0

Details

Observables Test Case: Aromatics Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

aromatics Passed Observable Testing ✅

Regression test liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:21
Current: Execution time (DD:HH:MM:SS): 00:00:01:54
Reference: Memory used: 2862.43 MB
Current: Memory used: 2020.72 MB

liquid_oxidation Passed Core Comparison ✅

Original model has 37 species.
Test model has 37 species. ✅
Original model has 241 reactions.
Test model has 241 reactions. ✅

liquid_oxidation Failed Edge Comparison ❌

Original model has 214 species.
Test model has 214 species. ✅
Original model has 1590 reactions.
Test model has 1593 reactions. ❌
The original model has 1 reactions that the tested model does not have. ❌
rxn: C[CH]CCCOO(63) <=> [OH](22) + CCCCC=O(60) origin: intra_H_migration
The tested model has 4 reactions that the original model does not have. ❌
rxn: CCCC[CH]OO(96) <=> C[CH]CCCOO(48) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC([O])CC(C)OO(110) + CC([O])CCCOO(123) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CC(C)OO(105) + CC(O)CCCOO(152) origin: Peroxyl_Termination
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CCCOO(115) + CC(O)CC(C)OO(143) origin: Peroxyl_Termination

Non-identical kinetics! ❌
original:
rxn: CCC(CC)O[O](37) + CCCCCO[O](36) <=> oxygen(1) + CCC([O])CC(67) + CCCCC[O](69) origin: Peroxyl_Disproportionation
tested:
rxn: CCC(CC)O[O](37) + CCCCCO[O](35) <=> oxygen(1) + CCC([O])CC(69) + CCCCC[O](67) origin: Peroxyl_Disproportionation

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	3.54	4.28	4.73	5.02	5.39	5.62	5.91	6.06
k(T):	7.83	7.49	7.23	7.02	6.68	6.42	5.95	5.61

kinetics: Arrhenius(A=(3.2e+12,'cm^3/(mol*s)'), n=0, Ea=(4.064,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing_Ext-5R-R""")
kinetics: Arrhenius(A=(3.18266e+20,'cm^3/(mol*s)'), n=-2.694, Ea=(0,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing""")
kinetics: Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing_Ext-5R-R
kinetics: Estimated from node Root_Ext-5R-R_7R!H->C_N-7C-inRing

Details

Observables Test Case: liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

liquid_oxidation Passed Observable Testing ✅

Regression test nitrogen:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:27
Current: Execution time (DD:HH:MM:SS): 00:00:00:58
Reference: Memory used: 2860.71 MB
Current: Memory used: 2030.36 MB

nitrogen Passed Core Comparison ✅

Original model has 41 species.
Test model has 41 species. ✅
Original model has 360 reactions.
Test model has 360 reactions. ✅

nitrogen Passed Edge Comparison ✅

Original model has 133 species.
Test model has 133 species. ✅
Original model has 983 reactions.
Test model has 983 reactions. ✅

Details

Observables Test Case: NC Comparison

✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions!

nitrogen Passed Observable Testing ✅

Regression test oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:30
Current: Execution time (DD:HH:MM:SS): 00:00:01:29
Reference: Memory used: 2736.71 MB
Current: Memory used: 1947.05 MB

oxidation Passed Core Comparison ✅

Original model has 59 species.
Test model has 59 species. ✅
Original model has 694 reactions.
Test model has 694 reactions. ✅

oxidation Passed Edge Comparison ✅

Original model has 230 species.
Test model has 230 species. ✅
Original model has 1526 reactions.
Test model has 1526 reactions. ✅

Details

Observables Test Case: Oxidation Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test sulfur:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:56
Current: Execution time (DD:HH:MM:SS): 00:00:00:38
Reference: Memory used: 2840.98 MB
Current: Memory used: 2009.28 MB

sulfur Passed Core Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 74 reactions.
Test model has 74 reactions. ✅

sulfur Failed Edge Comparison ❌

Original model has 89 species.
Test model has 89 species. ✅
Original model has 227 reactions.
Test model has 227 reactions. ✅
The original model has 1 reactions that the tested model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary
The tested model has 1 reactions that the original model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary

Details

Observables Test Case: SO2 Comparison

The following observables did not match:

❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 0.01 s
T0: 900 K
P0: 30 bar
Initial Mole Fractions: {'S': 0.000756, '[O][O]': 0.00129, 'N#N': 0.997954}

sulfur Failed Observable Testing ❌

Regression test superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:39
Current: Execution time (DD:HH:MM:SS): 00:00:00:25
Reference: Memory used: 2926.44 MB
Current: Memory used: 2197.43 MB

superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 21 reactions.
Test model has 21 reactions. ✅

superminimal Failed Edge Comparison ❌

Original model has 18 species.
Test model has 18 species. ✅
Original model has 28 reactions.
Test model has 28 reactions. ✅

Non-identical thermo! ❌
original: [O]OOO
tested: [O]OOO

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
20.55	73.45	16.83	18.19	18.99	19.52	20.44	21.47	23.15
20.55	74.76	16.83	18.19	18.99	19.52	20.44	21.47	23.15

Identical thermo comments:
thermo: QM MopacMolPM3 calculation attempt 1 + radical(ROOJ)

Regression test RMS_constantVIdealGasReactor_superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:25
Current: Execution time (DD:HH:MM:SS): 00:00:01:18
Reference: Memory used: 3471.72 MB
Current: Memory used: 2255.53 MB

RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:00:14:37
Reference: Memory used: 3467.10 MB
Current: Memory used: 3046.62 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Original model has 37 species.
Test model has 35 species. ❌
Original model has 202 reactions.
Test model has 137 reactions. ❌
The original model has 12 species that the tested model does not have. ❌
spc: CC(CC(C)OO)OO
spc: CC(=O)CC(C)OO(95)
spc: CC(CC(C)OO)OO(98)
spc: CC=O(126)
spc: [CH2]CCC(C)O(132)
spc: C=CCC(C)O(152)
spc: CCCOO
spc: CCC(156)
spc: CCCOO(159)
spc: CCCO
spc: CCC=O(180)
spc: C=O(191)
The tested model has 10 species that the original model does not have. ❌
spc: CH3
spc: CC=CCC(16)
spc: C[CH]C(CC)OO(31)
spc: [CH2]CC(CC)OO(32)
spc: CC[CH]C(C)OO(35)
spc: [CH2]C(CCC)OO(36)
spc: CCC([O])CC(41)
spc: CC[CH]CCOO(74)
spc: C[CH]CCCOO(75)
spc: [CH2]CCCCOO(76)
The original model has 128 reactions that the tested model does not have. ❌
rxn: [OH](25) + [OH](25) <=> OO(23) origin: R_Recombination
rxn: [O]O(13) + [CH2]CCCC(12) <=> CCCCCOO(78) origin: R_Recombination
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + CCCCCO[O](61) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCCC(12) <=> OO(23) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCCCCO[O](61) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: oxygen(1) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)O[O](91) origin: R_Recombination
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: OO(23) + CCCC(C)OO(24) <=> [OH](25) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + CCC(CC)OO(27) <=> [OH](25) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + CCCCCO[O](61) origin: H_Abstraction
rxn: OO(23) + OO(23) <=> [OH](25) + [O]O(13) + O(42) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOO(78) <=> [OH](25) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: OO(23) + CCCC(C)OO(24) <=> [O]O(13) + O(42) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCCCOO(78) <=> O(42) + CCCC(C)[O](41) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC=O(126) + [CH2]CC(5) <=> CCCC(C)[O](41) origin: R_Addition_MultipleBond
rxn: CCCC(C)[O](41) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
The tested model has 63 reactions that the original model does not have. ❌
rxn: CCC(CC)O[O](20) <=> [CH2]CC(CC)OO(32) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CC(CC)OO(32) <=> oxygen(1) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(24) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(CC)OO(32) <=> [O]O(13) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCC(CC)OO(24) <=> CCC(CC)O[O](20) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCC(C)OO(25) <=> CCCC(C)O[O](21) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> [CH2]CCCC(12) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(24) origin: Disproportionation
rxn: [CH2]CC(CC)OO(32) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(31) <=> CCC(CC)O[O](20) origin: intra_H_migration
rxn: [O]O(13) + C[CH]C(CC)OO(31) <=> oxygen(1) + CCC(CC)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(31) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(31) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(24) origin: H_Abstraction
rxn: OO(23) + C[CH]C(CC)OO(31) <=> [O]O(13) + CCC(CC)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(31) + CCC(CC)OO(24) <=> CCC(CC)O[O](20) + CCC(CC)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(31) + CCCC(C)OO(25) <=> CCCC(C)O[O](21) + CCC(CC)OO(24) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCC(CC)OO(24) <=> C[CH]C(CC)OO(31) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + C[CH]C(CC)OO(31) <=> C=CCCC(18) + CCC(CC)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]C(CC)OO(31) <=> C=CCCC(18) + CCC(CC)OO(24) origin: Disproportionation
rxn: C[CH]C(CC)OO(31) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(35) <=> CCCC(C)O[O](21) origin: intra_H_migration
rxn: [O]O(13) + CC[CH]C(C)OO(35) <=> oxygen(1) + CCCC(C)OO(25) origin: H_Abstraction
rxn: CC[CH]C(C)OO(35) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)OO(25) origin: H_Abstraction
rxn: CC[CH]C(C)OO(35) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)OO(25) origin: H_Abstraction
rxn: OO(23) + CC[CH]C(C)OO(35) <=> [O]O(13) + CCCC(C)OO(25) origin: H_Abstraction
rxn: CC[CH]C(C)OO(35) + CCC(CC)OO(24) <=> CCC(CC)O[O](20) + CCCC(C)OO(25) origin: H_Abstraction
rxn: CC[CH]C(C)OO(35) + CCCC(C)OO(25) <=> CCCC(C)O[O](21) + CCCC(C)OO(25) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCC(C)OO(25) <=> CC[CH]C(C)OO(35) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC[CH]C(C)OO(35) <=> C=CCCC(18) + CCCC(C)OO(25) origin: Disproportionation
rxn: C[CH]CCC(11) + CC[CH]C(C)OO(35) <=> C=CCCC(18) + CCCC(C)OO(25) origin: Disproportionation
rxn: CC[CH]C(C)OO(35) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(25) origin: H_Abstraction
rxn: oxygen(1) + CC[CH]CC(7) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]CCC(11) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: CC[CH]CC(7) + CC[CH]CC(7) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CC[CH]CC(7) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + C[CH]CCC(11) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: CCC(CC)O[O](20) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CCCC(C)O[O](21) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCC(CC)O[O](20) <=> oxygen(1) + [OH](26) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](20) + CCC(CC)O[O](20) <=> oxygen(1) + CCC([O])CC(41) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](20) + CCCC(C)O[O](21) <=> oxygen(1) + CCC([O])CC(41) + CCCC(C)[O](44) origin: Peroxyl_Disproportionation
rxn: [OH](26) + CCC([O])CC(41) <=> CCC(CC)OO(24) origin: R_Recombination
rxn: CCC(CC)OO(24) + CCCC(C)OO(25) <=> O(42) + CCC([O])CC(41) + CCCC(C)O[O](21) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(24) + CCC(CC)OO(24) <=> O(42) + CCC([O])CC(41) + CCC(CC)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) <=> C[CH]CCCOO(75) origin: intra_H_migration
rxn: CCCCCO[O](61) <=> [CH2]CCCCOO(76) origin: intra_H_migration
rxn: CC[CH]CCOO(74) <=> CCCCCO[O](61) origin: intra_H_migration
rxn: CCCC(C)O[O](21) <=> [CH2]C(CCC)OO(36) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C(CCC)OO(36) <=> oxygen(1) + CCCC(C)OO(25) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(36) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)OO(25) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(36) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)OO(25) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CCC)OO(36) <=> [O]O(13) + CCCC(C)OO(25) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(36) + CCC(CC)OO(24) <=> CCC(CC)O[O](20) + CCCC(C)OO(25) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(36) + CCCC(C)OO(25) <=> CCCC(C)O[O](21) + CCCC(C)OO(25) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(36) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)OO(25) origin: H_Abstraction
rxn: [O]O(13) + C=CCCC(18) <=> [CH2]C(CCC)OO(36) origin: R_Addition_MultipleBond
rxn: [CH2]CCCC(12) + [CH2]C(CCC)OO(36) <=> C=CCCC(18) + CCCC(C)OO(25) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CCC)OO(36) <=> C=CCCC(18) + CCCC(C)OO(25) origin: Disproportionation
rxn: [CH2]C(CCC)OO(36) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)OO(25) origin: H_Abstraction

RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌

Original model has 248 species.
Test model has 77 species. ❌
Original model has 2057 reactions.
Test model has 266 reactions. ❌
The original model has 171 species that the tested model does not have. ❌
spc: [O]OOO(21)
spc: CCCC(C)OOOO
spc: CCC(CC)OOOO
spc: CCCCCOOOO
spc: CCCCCO
spc: [CH2]COO(80)
spc: [CH2]CCOO(81)
spc: [CH2]OO(82)
spc: [CH2]CCCOO(83)
spc: CCCC[CH]OO(84)
spc: C[CH]CCOO(85)
spc: [CH2]C(C)C(C)OO(86)
spc: CC1CC(C)O1(87)
spc: CC=CC(C)OO(88)
spc: C=CCC(C)OO(89)
spc: CC([O])CC(C)O(90)
spc: CC(CC(C)OO)OO
spc: CC(CCOO)OO
spc: CC(CCO[O])OO(93)
spc: CC1CC(C)OOO1(94)
spc: CC(=O)CC(C)OO(95)
spc: CC([CH]C(C)OO)OO(96)
spc: [CH2]C(CC(C)OO)OO(97)
spc: CC(CC(C)OO)OO(98)
spc: CC([O])CC(C)OO(99)
spc: CCCCCO(100)
spc: CC(O)CC(C)OO(101)
spc: [C-]#O+
spc: CC(=O)CCOO(103)
spc: C=C(C)OC(C)OO(104)
spc: CC(O)=CC(C)OO(105)
spc: C=C(O)CC(C)OO(106)
spc: CC1CC(C)(O)OO1(107)
spc: CC(=O)CC(C)O
spc: C[CH]CC(C)=O(109)
spc: CC(=O)CC(C)OO
spc: C=C(C)O
spc: CC(=O)C[CH]OO(112)
spc: CCOO(113)
spc: C[C]=O(114)
spc: CC([O])=CC(C)OO(115)
spc: [CH2]C(CC(C)=O)OO(116)
spc: CC(C[C]=O)OO(117)
spc: C=C([O])CC(C)OO(118)
spc: C=C(C)O(119)
spc: C=COO(120)
spc: CC(CCOO)OO(121)
spc: CC(C[CH]OO)OO(122)
spc: CCOO(123)
spc: CCCCO
spc: CCC(C)O
spc: CC=O(126)
spc: CCCC=O(127)
spc: CCCCO(128)
spc: CC[CH]C(C)O(129)
spc: [CH2]C(O)CCC(130)
spc: C[CH]CC(C)O(131)
spc: [CH2]CCC(C)O(132)
spc: CCCC(C)OO(133)
spc: CCCCCOOOO(134)
spc: CCCC(C)OOO(135)
spc: CCC[CH]CO(136)
spc: CC(CC(C)([O])O)OO(137)
spc: [O]OO(138)
spc: CCCCCOOO
spc: CC(=O)CC(C)OOO
spc: OOO(141)
spc: CCC(CC)OOO(142)
spc: CCCCCOOO(143)
spc: C[CH]C(144)
spc: C(145)
spc: C=CO(146)
spc: [CH]=O(147)
spc: C=CO
spc: [CH2]CCCO(149)
spc: [CH2]CC=CC(150)
spc: [CH2]CO(151)
spc: C=CCC(C)O(152)
spc: [CH2]C(C)O(153)
spc: CCCOO
spc: CC(O)CCCOO
spc: CCC(156)
spc: C[CH]O(157)
spc: CCO
spc: CCCOO(159)
spc: CC(O)OO
spc: C[CH]OOO(161)
spc: CC([O])OO(162)
spc: CC(O)CCCOO(163)
spc: CCCO(164)
spc: CC([O])O(165)
spc: C[CH]OCCC(166)
spc: CC1OOC1C(167)
spc: C=COOCC(168)
spc: C=COC(C)O(169)
spc: CCOO
spc: C=[C]C(171)
spc: [CH]=CC(172)
spc: C[C]C(173)
spc: [CH]CC(174)
spc: CC(175)
spc: C[CH]COO(176)
spc: CCCOOOO
spc: CC(C)OO
spc: CCCO
spc: CCC=O(180)
spc: CCCOOOO(181)
spc: CC(C)O(182)
spc: CC1COC1C(183)
spc: C=COC(C)C(184)
spc: C=COCCC(185)
spc: C=CCOCC(186)
spc: C[CH]OOOCCC(187)
spc: CCCOOC(C)O
spc: CCCOOO
spc: CCCOOO(190)
spc: C=O(191)
spc: CC[CH]O(192)
spc: C[CH]CO(193)
spc: [CH2]CCO(194)
spc: CCOO(195)
spc: C=CCCO(196)
spc: C=CC=CC(197)
spc: C=CCC=C(198)
spc: C=CCC(C)O
spc: C=CC[CH]O(200)
spc: C=CCCO(201)
spc: C=C[CH]C(C)O(202)
spc: [CH2]C(O)CC=C(203)
spc: C=[C]CC(C)O(204)
spc: [CH]=CCC(C)O(205)
spc: C[C]CC(C)O(206)
spc: [CH]CCC(C)O(207)
spc: CC(O)CCCO(208)
spc: CC(O)CC(C)O(209)
spc: C[CH]OOCCC(210)
spc: CCCOC(C)O
spc: C=COC(212)
spc: CC=CO(213)
spc: CC=CO
spc: [CH2]CC=O(215)
spc: CC[C]=O(216)
spc: [H]H
spc: [CH2]O(218)
spc: CO
spc: CCC(O)OO
spc: CC[CH]OOO(221)
spc: CCC([O])OO(222)
spc: [O]OCO(223)
spc: [CH2]OOO(224)
spc: [O]COO(225)
spc: CCC1OOC1C(226)
spc: C=COOCCC(227)
spc: C=COC(O)CC(228)
spc: CC=COOCC(229)
spc: CC=COC(C)O(230)
spc: CC1COO1(231)
spc: C=COOC(232)
spc: C=COCO(233)
spc: C[CH]OCC(234)
spc: CC1CCO1(235)
spc: CC1COC1(236)
spc: C=CCOC(237)
spc: CCCOOCC(238)
spc: CCC1COO1(239)
spc: CC=COOC(240)
spc: CC=COCO(241)
spc: CC[CH]OCC(242)
spc: C1COO1(243)
spc: [CH2]OCC(244)
spc: COO
The original model has 1791 reactions that the tested model does not have. ❌
rxn: [OH](25) + [OH](25) <=> OO(23) origin: R_Recombination
rxn: [O]O(13) + [CH2]CCCC(12) <=> CCCCCOO(78) origin: R_Recombination
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + CCCCCO[O](61) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCCC(12) <=> OO(23) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCCCCO[O](61) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: oxygen(1) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)O[O](91) origin: R_Recombination
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: OO(23) + CCCC(C)OO(24) <=> [OH](25) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + CCC(CC)OO(27) <=> [OH](25) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + CCCCCO[O](61) origin: H_Abstraction
rxn: OO(23) + OO(23) <=> [OH](25) + [O]O(13) + O(42) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOO(78) <=> [OH](25) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: OO(23) + CCCC(C)OO(24) <=> [O]O(13) + O(42) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCCCOO(78) <=> O(42) + CCCC(C)[O](41) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC=O(126) + [CH2]CC(5) <=> CCCC(C)[O](41) origin: R_Addition_MultipleBond
rxn: CCCC(C)[O](41) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: oxygen(1) + [O]O(13) <=> [O]OOO(21) origin: R_Recombination
rxn: oxygen(1) + CCCC(C)O[O](20) <=> CCCC(C)OOO[O](39) origin: R_Recombination
rxn: oxygen(1) + CCC(CC)O[O](22) <=> CCC(CC)OOO[O](40) origin: R_Recombination
rxn: oxygen(1) + CCCCCO[O](61) <=> CCCCCOOO[O](77) origin: R_Recombination
rxn: [H](8) + [O]O(13) <=> OO(23) origin: R_Recombination
rxn: [CH2](3) + CCCCOO(51) <=> CCCCCOO(78) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCCCOO(51) <=> CCCCCOO(78) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CCCCC[O](79) <=> CCCCCOO(78) origin: R_Recombination
rxn: [H](8) + CCCCCO[O](61) <=> CCCCCOO(78) origin: R_Recombination
rxn: [CH2]COO(80) + [CH2]CC(5) <=> CCCCCOO(78) origin: R_Recombination
rxn: C[CH2](6) + [CH2]CCOO(81) <=> CCCCCOO(78) origin: R_Recombination
rxn: [H](8) + CC[CH]CCOO(64) <=> CCCCCOO(78) origin: R_Recombination
rxn: [CH2]OO(82) + [CH2]CCC(9) <=> CCCCCOO(78) origin: R_Recombination
rxn: [H](8) + CCC[CH]COO(63) <=> CCCCCOO(78) origin: R_Recombination
rxn: [CH3](10) + [CH2]CCCOO(83) <=> CCCCCOO(78) origin: R_Recombination
rxn: [H](8) + C[CH]CCCOO(65) <=> CCCCCOO(78) origin: R_Recombination
rxn: [H](8) + CCCC[CH]OO(84) <=> CCCCCOO(78) origin: R_Recombination
rxn: [H](8) + [CH2]CCCCOO(66) <=> CCCCCOO(78) origin: R_Recombination
rxn: [CH2](3) + C[CH]CCOO(85) <=> C[CH]CC(C)OO(34) origin: 1,2_Insertion_carbene
rxn: [CH2]C(C)C(C)OO(86) <=> C[CH]CC(C)OO(34) origin: 1,2_shiftC
rxn: C[CH]CC(C)OO(34) <=> [OH](25) + CC1CC(C)O1(87) origin: Cyclic_Ether_Formation
rxn: [H](8) + CC=CC(C)OO(88) <=> C[CH]CC(C)OO(34) origin: R_Addition_MultipleBond
rxn: [H](8) + C=CCC(C)OO(89) <=> C[CH]CC(C)OO(34) origin: R_Addition_MultipleBond
rxn: C[CH]OO(53) + C=CC(18) <=> C[CH]CC(C)OO(34) origin: R_Addition_MultipleBond
rxn: CC[CH]C(C)OO(32) <=> C[CH]CC(C)OO(34) origin: intra_H_migration
rxn: [CH2]CCC(C)OO(35) <=> C[CH]CC(C)OO(34) origin: intra_H_migration
rxn: C[CH]CC(C)OO(34) <=> CCC[C](C)OO(55) origin: intra_H_migration
rxn: C[CH]CC(C)OO(34) <=> [CH2]C(CCC)OO(33) origin: intra_H_migration
rxn: C[CH]CC(C)OO(34) <=> CC([O])CC(C)O(90) origin: intra_OH_migration
rxn: [O]O(13) + CC[CH]CCOO(64) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + CCC[CH]COO(63) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CCCOO(65) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + CCCC[CH]OO(84) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCCCOO(66) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: oxygen(1) + C[CH]CC(C)OO(34) <=> [O]O(13) + CC=CC(C)OO(88) origin: Disproportionation
rxn: oxygen(1) + C[CH]CC(C)OO(34) <=> [O]O(13) + C=CCC(C)OO(89) origin: Disproportionation
rxn: C=CC[CH]C(69) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CCC(11) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + CC[CH]CCOO(64) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + CCC[CH]COO(63) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + C[CH]CCCOO(65) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: [O]O(13) + CCCCCOO(78) <=> OO(23) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: OO(23) + [CH2]CCCCOO(66) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)O[O](20) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=CCCC(17) + CCC(CC)O[O](22) <=> [CH2]C=CCC(71) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CC[CH]CCOO(64) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCC[CH]COO(63) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> [CH2]CCCC(12) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)OO(24) <=> O(42) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: CCCC(C)OO(24) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: [OH](25) + CCC(CC)OO(27) <=> O(42) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: OO(23) + CCC(CC)OO(27) <=> [O]O(13) + O(42) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOO(78) <=> O(42) + CCC([O])CC(44) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: [OH](25) + CCCCCOO(78) <=> O(42) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=CCCC(17) + CCCCCO[O](61) <=> [CH2]C=CCC(71) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC[CH]CCOO(64) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCC[CH]COO(63) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CCCOO(65) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCCC[CH]OO(84) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCCCOO(66) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + CC[CH]CCOO(64) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + CCC[CH]COO(63) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCCOO(65) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC[CH]OO(84) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCCOO(66) <=> C=CCCC(17) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CC(C)OO(34) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: OO(23) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC[CH]CCOO(64) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2](3) + CC(CCOO)O[O](92) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(CCO[O])OO(93) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC1CC(C)OOO1(94) origin: Cyclic_Ether_Formation
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC=CC(C)OO(88) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + C=CCC(C)OO(89) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [CH2]C(CC(C)OO)OO(97) origin: intra_H_migration
rxn: [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: [H](8) + [OH](25) <=> O(42) origin: R_Recombination
rxn: C[CH]CCC(11) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + [OH](25) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)[O](41) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)=O(31) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)[O](41) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)=O(31) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC([O])CC(44) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC(=O)CC(36) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC([O])CC(44) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC(=O)CC(36) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC[C](C)OO(55) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC[O](79) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC=O(62) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCO(100) origin: Peroxyl_Termination
rxn: C=CC[CH]C(69) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=CCCC(17) + CC(CC(C)OO)O[O](91) <=> [CH2]C=CCC(71) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]CCC(73) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: O(42) + C=CCCC(17) <=> CCCCCO(100) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCCC(17) <=> CCCC(C)O(46) origin: 1,3_Insertion_ROR
rxn: CC[CH]CCOO(64) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC([O])CC(C)OO(99) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CCC(C)OO(52) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC(=O)CCOO(103) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_carbene
rxn: C=C(C)OC(C)OO(104) <=> CC(=O)CC(C)OO(95) origin: 1,3_sigmatropic_rearrangement
rxn: CC(O)=CC(C)OO(105) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: C=C(O)CC(C)OO(106) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: CC(=O)CC(C)OO(95) <=> CC1CC(C)(O)OO1(107) origin: Korcek_step1
rxn: [OH](25) + CC(=O)CC(C)[O](108) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC(C)=O(109) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC(=O)CC(C)O[O](110) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[CH]OO(53) + C=C(C)[O](111) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(=O)C[CH]OO(112) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)=O)OO(113) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[C]=O(114) + [CH2]C(C)OO(56) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC([O])=CC(C)OO(115) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)=O)OO(116) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(C[C]=O)OO(117) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C=C([O])CC(C)OO(118) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: CC(=O)CC(C)OO(95) <=> C=COO(120) + C=C(C)O(119) origin: Retroene
rxn: [CH2](3) + CC(CCOO)OO(121) <=> CC(CC(C)OO)OO(98) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC(CC(C)OO)O[O](91) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]OO(53) + [CH2]C(C)OO(56) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH3](10) + CC(C[CH]OO)OO(122) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)OO)OO(123) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH2](3) + CCCC[O](124) <=> CCCC(C)[O](41) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCC(C)[O](125) <=> CCCC(C)[O](41) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCC(C)[O](125) <=> CCCC(C)[O](41) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCC(C)=O(31) <=> CCCC(C)[O](41) origin: R_Addition_MultipleBond
rxn: [CH3](10) + CCCC=O(127) <=> CCCC(C)[O](41) origin: R_Addition_MultipleBond
rxn: CCCC(C)[O](41) <=> CCC[C](C)O(128) origin: intra_H_migration
rxn: CC[CH]C(C)O(129) <=> CCCC(C)[O](41) origin: intra_H_migration
rxn: CCCC(C)[O](41) <=> [CH2]C(O)CCC(130) origin: intra_H_migration
rxn: CCCC(C)[O](41) <=> C[CH]CC(C)O(131) origin: intra_H_migration
rxn: [O]O(13) + CC(=O)CC(C)O[O](110) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)=O)OO(113) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC([O])=CC(C)OO(115) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)=O)OO(116) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C=C([O])CC(C)OO(118) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)OO)OO(123) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CC([CH]C(C)OO)OO(96) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)OO)OO(97) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: oxygen(1) + CCCC(C)[O](41) <=> [O]O(13) + CCCC(C)=O(31) origin: Disproportionation
rxn: oxygen(1) + CCCC(C)[O](41) <=> CCCC(C)OO[O](48) origin: R_Recombination
rxn: CC[CH]CC(7) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CCCC(C)[O](41) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + [OH](25) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + O(42) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: [O]O(13) + CCCCCO[O](61) <=> CCCCCOOOO(134) origin: R_Recombination
rxn: oxygen(1) + C[C](O)CC(C)OO(133) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: oxygen(1) + CC([O])CC(C)OO(99) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)O[O](110) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)=O)OO(113) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + CC([O])=CC(C)OO(115) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)=O)OO(116) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC(=O)CC(C)OO(95) <=> OO(23) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)OO)OO(123) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + CC([CH]C(C)OO)OO(96) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)OO)OO(97) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> OO(23) + CCCC(C)=O(31) origin: Disproportionation
rxn: [O]O(13) + CCCC(C)[O](41) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> CCCC(C)OOO(135) origin: R_Recombination
rxn: CC[CH]CC(7) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)O[O](20) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) <=> CC([O])=CC(C)OO(115) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)O[O](22) <=> CCCC(C)=O(31) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> [CH2]CCCC(12) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)[O](108) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)O[O](20) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> [CH2]C(CCC)OO(33) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)OO(24) <=> [CH2]CCC(C)OO(35) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)[O](108) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)O[O](110) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](22) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC([O])CC(44) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=[C]CCC(73) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> [CH2]C(O)CCC(130) origin: R_Addition_MultipleBond
rxn: [OH](25) + C=CCCC(17) <=> CCC[CH]CO(136) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> C[C](CC(C)OO)OO(123) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> CC(CC(C)([O])O)OO(137) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)[O](41) <=> O(42) + CCCC(C)=O(31) origin: Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC[O](79) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCCCOO(78) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCO[O](61) <=> CC([O])=CC(C)OO(115) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCO[O](61) <=> CCCC(C)=O(31) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[CH]C(69) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]CCC=C(72) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [O]O(13) + O(42) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [OH](25) + O(42) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[C](O)CC(C)OO(133) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [O]O(13) + CC([O])CC(C)OO(99) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [O]O(13) + O(42) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCC(C)O(46) <=> OO(23) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)[O](108) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCC[O](79) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCOO(78) <=> [CH2]CCCCOO(66) + CCCC(C)O(46) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> CC=CC(C)OO(88) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)OO(89) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C=C([O])CC(C)OO(118) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC([O])=CC(C)OO(115) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) <=> CCCC(C)=O(31) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + C[C](O)CC(C)OO(133) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)[O](108) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)O[O](110) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)[O](108) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[C](O)CC(C)OO(133) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(CC(C)OO)OO(98) + CC(CC(C)OO)OO(98) <=> O(42) + CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]OO(138) + CCCC(C)O[O](20) <=> oxygen(1) + [O]O(13) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCC(C)[O](41) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCC(C)[O](41) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCC(C)OO[O](48) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCC(CC)OO[O](49) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)[O](41) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: [O]OO(138) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + OO(23) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCCCOO[O](139) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CC(=O)CC(C)OO[O](140) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: OO(23) + OOO(141) <=> [O]O(13) + [O]O(13) + O(42) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCC(C)OO(24) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCC(C)OOO(135) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCC(CC)OO(27) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OOO(142) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOOO(143) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCC(C)OOO(135) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCCCOOO(143) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OOO(135) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOOO(143) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OOO(142) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOOO(143) <=> O(42) + CCCCCO[O](61) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOOO(143) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + C[CH2](6) <=> [CH2]CC(5) origin: 1,2_Insertion_carbene
rxn: [CH2]CC(5) <=> [H](8) + C=CC(18) origin: R_Addition_MultipleBond
rxn: [CH3](10) + C=C(50) <=> [CH2]CC(5) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) <=> [CH2]CC(5) origin: intra_H_migration
rxn: [C-]#[O+](102) + C(145) <=> CC=O(126) origin: 1,2_Insertion_CO
rxn: C=CO(146) <=> CC=O(126) origin: Ketoenol
rxn: [CH]=O(147) + [CH3](10) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C=C[O](148) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C[C]=O(114) <=> CC=O(126) origin: R_Recombination
rxn: [CH2](3) + [CH2]CCCO(149) <=> [CH2]CCC(C)O(132) origin: 1,2_Insertion_carbene
rxn: O(42) + [CH2]CC=CC(150) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: O(42) + [CH2]CCC=C(72) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [CH2]CO(151) + C=CC(18) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [H](8) + C=CCC(C)O(152) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: C=C(50) + [CH2]C(C)O(153) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: [CH2]CCC(C)O(132) <=> C[CH]CC(C)O(131) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CC[CH]C(C)O(129) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CCC[C](C)O(128) origin: intra_H_migration
rxn: [CH2]C(O)CCC(130) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: [O]O(13) + C=C[O](148) <=> oxygen(1) + CC=O(126) origin: H_Abstraction
rxn: oxygen(1) + CC=O(126) <=> [O]O(13) + C[C]=O(114) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> CC(O)CCCO[O](155) origin: R_Recombination
rxn: C[CH]O(157) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + C[CH]CCC(11) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CCC(11) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: oxygen(1) + C[CH]O(157) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: oxygen(1) + CC[O](158) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: CC(O)O[O](160) <=> [O]O(13) + CC=O(126) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C=C[O](148) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C[C]=O(114) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> C[CH]OOO(161) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=O(126) <=> CC([O])OO(162) origin: R_Addition_MultipleBond
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> CC(O)CCCOO(163) origin: R_Recombination
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + CC[CH]CC(7) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + CC[CH]CC(7) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C]=O(114) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C[O](148) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C]=O(114) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CCC)OO(33) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)OO(35) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]O(157) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC(156) + [CH2]CC(CC)OO(38) <=> [CH2]CC(5) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]O(157) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + [CH2]CC(5) <=> CCCO(164) origin: R_Recombination
rxn: [OH](25) + CC=O(126) <=> O(42) + C=C[O](148) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> O(42) + C[C]=O(114) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> C[CH]OO(53) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC=O(126) <=> CC([O])O(165) origin: R_Addition_MultipleBond
rxn: C=C[O](148) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C]=O(114) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC=C(72) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + C=[C]CCC(73) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + [CH]=CCCC(74) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]O(157) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [O]O(13) + C[CH]O(157) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: [O]O(13) + CC[O](158) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: OO(23) + [CH2]CCC(C)O(132) <=> [O]O(13) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCCOO(66) <=> [CH2]CC(5) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]O(157) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + CC=CC(C)OO(88) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C=C[O](148) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C[C]=O(114) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C]=O(114) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + C[CH]O(157) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CC[O](158) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)=O)OO(116) <=> [CH2]CC(5) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: C[CH]O(157) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) <=> CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)OO)OO(97) <=> [CH2]CC(5) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]O(157) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> CCC(156) + CCCC(C)=O(31) origin: Disproportionation
rxn: CC=O(126) + CCCC(C)[O](41) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + CCCC(C)[O](41) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + [CH2]CC(5) <=> C=C[O](148) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[C]=O(114) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[CH]OCCC(166) origin: R_Addition_MultipleBond
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + CC=O(126) <=> CC1OOC1C(167) origin: 2+2_cycloaddition
rxn: C=C[O](148) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=C[O](148) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=COOCC(168) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: C=COC(C)O(169) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCO[O](170) + CCCC(C)OO[O](48) <=> oxygen(1) + CC=O(126) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCC(CC)OO[O](49) <=> oxygen(1) + CC=O(126) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCO[O](170) <=> oxygen(1) + OO(23) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCCCOO[O](139) <=> oxygen(1) + CC=O(126) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CCO[O](170) <=> oxygen(1) + O(42) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CC=O(126) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: [CH2](3) + C=C(50) <=> C=CC(18) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + [CH]=C(70) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH2]C=C(67) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + C=[C]C(171) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH]=CC(172) <=> C=CC(18) origin: R_Recombination
rxn: C[C]C(173) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CC(174) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + C[CH2](6) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + C[CH]C(144) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + [CH2]CC(5) <=> CCC(156) origin: R_Recombination
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: CCCO[O](154) <=> CC[CH]OO(58) origin: intra_H_migration
rxn: CCCO[O](154) <=> C[CH]COO(176) origin: intra_H_migration
rxn: CCCO[O](154) <=> [CH2]CCOO(81) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C=C(67) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=[C]C(171) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: oxygen(1) + C=CC(18) <=> [O]O(13) + [CH]=CC(172) origin: H_Abstraction
rxn: oxygen(1) + CCC(156) <=> [O]O(13) + C[CH]C(144) origin: H_Abstraction
rxn: oxygen(1) + CCCO[O](154) <=> CCCOOO[O](177) origin: R_Recombination
rxn: C[CH]C(144) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C=CC(18) + C[CH]CCC(11) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(144) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: CC(C)O[O](178) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + [CH2]C=C(67) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + C=[C]C(171) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + [CH]=CC(172) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=CC(18) <=> [CH2]C(C)OO(56) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=CC(18) <=> C[CH]COO(176) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC(156) <=> OO(23) + C[CH]C(144) origin: H_Abstraction
rxn: [O]O(13) + CCCO[O](154) <=> CCCOOOO(181) origin: R_Recombination
rxn: C=CC(18) + CC[CH]CC(7) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCO[O](154) + CC[CH]CC(7) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCCO(164) + CCCC(C)=O(31) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC=O(180) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: [CH2]C=C(67) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]C(171) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CC(172) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC[O](179) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCCO(164) + CCC(=O)CC(36) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC=O(180) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: C=CC(18) + [CH2]CCCC(12) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> C[CH]C(144) + pentane(2) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCOO(159) + CCC[C](C)OO(55) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]C(C)OO(32) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CCC)OO(33) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)OO(35) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCOO(159) + CC[C](CC)OO(59) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]C(CC)OO(37) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CC(CC)OO(38) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C=C(67) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]C(171) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[CH]C(144) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC[O](179) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCCO(164) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC=O(180) + CCCCCO(100) origin: Peroxyl_Termination
rxn: [CH2]CC(5) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + C=CC[CH]C(69) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO[O](154) + C=CCCC(17) <=> CCCOO(159) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC=C(72) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + C=[C]CCC(73) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + [CH]=CCCC(74) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: [O]O(13) + C[CH]C(144) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: CCCOO(159) + CC[CH]CCOO(64) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCC[CH]COO(63) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCCOO(65) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCCC[CH]OO(84) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCCOO(66) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + C=CCC(C)OO(89) origin: Disproportionation
rxn: [CH2]C=C(67) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]C(171) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CC(172) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC[O](179) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCO(164) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC=O(180) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: O(42) + C=CC(18) <=> CCCO(164) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CC(18) <=> CC(C)O(182) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]C(144) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCOO(159) + CC(=O)CC(C)O[O](110) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C[C](CC(C)=O)OO(113) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCO[O](154) + CC(=O)CC(C)OO(95) <=> CCCOO(159) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)=O)OO(116) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C=C([O])CC(C)OO(118) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCOO(159) + C[C](CC(C)OO)OO(123) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + CC([CH]C(C)OO)OO(96) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)OO)OO(97) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(156) <=> C[CH]C(144) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + C=CC(18) <=> CC1COC1C(183) origin: 2+2_cycloaddition
rxn: CC=O(126) + C=CC(18) <=> CC1CC(C)O1(87) origin: 2+2_cycloaddition
rxn: C=C[O](148) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=C[O](148) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=COC(C)C(184) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=COCCC(185) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=CCOCC(186) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C[CH]O(157) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C=C[O](148) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: C[C]=O(114) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: CC=O(126) + CCCO[O](154) <=> C[CH]OOOCCC(187) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCCO[O](154) <=> CCCOOC(C)[O](188) origin: R_Addition_MultipleBond
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> C[CH]C(144) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> [CH2]CC(5) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C=C(67) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(144) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C=[C]C(171) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH]C(144) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC=O(180) + CCCO(164) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCOO[O](189) <=> oxygen(1) + [O]O(13) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCO[O](154) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCO[O](154) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCCCOO[O](139) <=> oxygen(1) + CCCO[O](154) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCOO[O](189) <=> oxygen(1) + CCCO[O](154) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO(159) + CCCC(C)OOO(135) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OOO(142) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOOO(143) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOOO(190) <=> O(42) + CCCO[O](154) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCC=O(180) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) <=> CC[CH]O(192) origin: intra_H_migration
rxn: C[CH]CO(193) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2]CCO(194) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCO[O](154) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2]OO(82) + C[CH2](6) <=> CCCOO(159) origin: R_Recombination
rxn: [CH3](10) + [CH2]COO(80) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + C[CH]COO(176) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + CC[CH]OO(58) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + [CH2]CCOO(81) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2](3) + C=CCCO(196) <=> C=CCC(C)O(152) origin: 1,2_Insertion_carbene
rxn: O(42) + C=CC=CC(197) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC=C(198) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: C=CO(146) + C=CC(18) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C=CC[CH]C(69) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CCC(C)[O](199) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C[CH]O(157) + [CH2]C=C(67) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH3](10) + C=CC[CH]O(200) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CC[C](C)O(201) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH]=C(70) + [CH2]C(C)O(153) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=C[CH]C(C)O(202) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CC=C(203) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=[C]CC(C)O(204) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH]=CCC(C)O(205) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C=CCC(C)O(152) <=> C=CO(146) + C=CC(18) origin: Retroene
rxn: C[C]CC(C)O(206) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CCC(C)O(207) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: oxygen(1) + CCC[O](179) <=> CCCOO[O](189) origin: R_Recombination
rxn: [O]O(13) + C[CH]COO(176) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]OO(58) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCOO(81) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]OO(58) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> oxygen(1) + CCCO(164) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> CCCOOO(190) origin: R_Recombination
rxn: OO(23) + C[CH]COO(176) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CCCOO(159) <=> OO(23) + CC[CH]OO(58) origin: H_Abstraction
rxn: OO(23) + [CH2]CCOO(81) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]CC(7) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]COO(176) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> C[CH]COO(176) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: C[CH]CC(C)O(131) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]COO(176) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: CCCO(164) + C=[C]CCC(73) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO(164) + [CH]=CCCC(74) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]COO(176) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C=CC[CH]C(69) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [O]O(13) + CCCO(164) <=> OO(23) + CCC[O](179) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCC[CH]COO(63) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC(18) + C[CH]CC(C)OO(34) <=> [CH2]C=C(67) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]OO(58) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + CCCO(164) <=> O(42) + CCC[O](179) origin: H_Abstraction
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CCCO(208) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CC(C)O(209) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]CC(C)O(131) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCC[O](179) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCCO[O](154) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCO[O](154) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCO[O](154) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> C[CH]COO(176) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCOO(159) <=> CC[CH]OO(58) + CCC(156) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(156) <=> [CH2]CC(5) + CCCOO(159) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C=C[O](148) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[C]=O(114) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[CH]OOCCC(210) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCC[O](179) <=> CCCOC(C)[O](211) origin: R_Addition_MultipleBond
rxn: C[CH]O(157) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CCCO[O](154) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> C[CH]COO(176) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CC[CH]OO(58) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)O(46) <=> CCCOO(159) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=CC(18) + CCC[O](179) <=> [CH2]C=C(67) + CCCO(164) origin: H_Abstraction
rxn: C=[C]C(171) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO(164) <=> CCC[O](179) + CCC(156) origin: H_Abstraction
rxn: CCC[O](179) + CCC(156) <=> [CH2]CC(5) + CCCO(164) origin: H_Abstraction
rxn: C[CH]C(144) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]COO(176) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CCC[O](179) <=> CCC=O(180) + CCCO(164) origin: Disproportionation
rxn: CCC[O](179) + CCCOO(159) <=> CCCO[O](154) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> C[CH]COO(176) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> CC[CH]OO(58) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> [CH2]CCOO(81) + CCCO(164) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCOO(159) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCOO[O](189) <=> oxygen(1) + CC=O(126) + CCCOO(159) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CC(175) <=> CCC=O(180) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC=O(126) <=> CCC=O(180) origin: 1,2_Insertion_carbene
rxn: C=COC(212) <=> CCC=O(180) origin: 1,3_sigmatropic_rearrangement
rxn: CC=CO(213) <=> CCC=O(180) origin: Ketoenol
rxn: [CH3](10) + C=C[O](148) <=> CCC=O(180) origin: R_Recombination
rxn: [CH]=O(147) + C[CH2](6) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC=C[O](214) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + [CH2]CC=O(215) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC[C]=O(216) <=> CCC=O(180) origin: R_Recombination
rxn: [H][H](217) + [C-]#[O+](102) <=> C=O(191) origin: 1,2_Insertion_CO
rxn: [H](8) + [CH]=O(147) <=> C=O(191) origin: R_Recombination
rxn: [H](8) + C=C(50) <=> C[CH2](6) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=C[O](214) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CC=O(215) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: oxygen(1) + CCC=O(180) <=> [O]O(13) + CC[C]=O(216) origin: H_Abstraction
rxn: oxygen(1) + C=O(191) <=> [O]O(13) + [CH]=O(147) origin: H_Abstraction
rxn: oxygen(1) + C[CH2](6) <=> [O]O(13) + C=C(50) origin: Disproportionation
rxn: CCO[O](170) <=> oxygen(1) + C[CH2](6) origin: R_Recombination
rxn: CC[CH]O(192) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + pentane(2) <=> CC(175) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + C[CH]CCC(11) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CCC(11) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: oxygen(1) + CC[CH]O(192) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC(O)O[O](220) <=> [O]O(13) + CCC=O(180) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + CC=C[O](214) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + [CH2]CC=O(215) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + CC[C]=O(216) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + CCC=O(180) <=> CC[CH]OOO(221) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC=O(180) <=> CCC([O])OO(222) origin: R_Addition_MultipleBond
rxn: oxygen(1) + [CH2]O(218) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: oxygen(1) + C[O](219) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: [O]OCO(223) <=> [O]O(13) + C=O(191) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + C=O(191) <=> OO(23) + [CH]=O(147) origin: H_Abstraction
rxn: [O]O(13) + C=O(191) <=> [CH2]OOO(224) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=O(191) <=> [O]COO(225) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C[CH2](6) <=> OO(23) + C=C(50) origin: Disproportionation
rxn: oxygen(1) + CC(175) <=> [O]O(13) + C[CH2](6) origin: H_Abstraction
rxn: [O]O(13) + C[CH2](6) <=> CCOO(195) origin: R_Recombination
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + CC[CH]CC(7) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + CC[CH]CC(7) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + CC[CH]CC(7) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: CC=C[O](214) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=O(191) + CCCC(C)O[O](20) <=> [CH]=O(147) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)O[O](20) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC=C[O](214) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[C]=O(216) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=O(191) + CCC(CC)O[O](22) <=> [CH]=O(147) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)O[O](22) <=> C=C(50) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + [CH2]CCCC(12) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + [CH2]CCCC(12) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CCCC(12) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(175) + CCCC(C)O[O](20) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CCC)OO(33) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC(C)OO(35) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]O(192) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(175) + CCC(CC)O[O](22) <=> C[CH2](6) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CC=C[O](214) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=O(191) + CCCCCO[O](61) <=> [CH]=O(147) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCO[O](61) <=> C=C(50) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CCCC(12) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]CCC(11) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CC(175) + [CH2]C=CCC(71) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC=C(72) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=[C]CCC(73) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]O(192) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: [O]O(13) + [CH2]O(218) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + C[O](219) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + CC(175) <=> OO(23) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: CC(175) + CCCCCO[O](61) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCC[CH]COO(63) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CC(175) + [CH2]CCCCOO(66) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC=C[O](214) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC[C]=O(216) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + CC=CC(C)OO(88) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=C[O](214) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[C]=O(216) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=O(147) + CC(CC(C)OO)OO(98) <=> C=O(191) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)O[O](91) <=> C=C(50) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + CC[CH]O(192) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [OH](25) + [CH2]O(218) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + C[O](219) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + CC(175) <=> O(42) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + C[C](O)CC(C)OO(133) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + CC([O])CC(C)OO(99) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(175) + CC(=O)CC(C)O[O](110) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)=O)OO(116) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(175) + CC(CC(C)OO)O[O](91) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)OO)OO(97) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC=O(126) + CCC=O(180) <=> CCC1OOC1C(226) origin: 2+2_cycloaddition
rxn: C=C[O](148) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=C[O](148) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=COOCCC(227) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=COC(O)CC(228) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COOCC(229) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COC(C)O(230) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=O(191) + CC=O(126) <=> CC1COO1(231) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH2]O(218) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]O(157) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + CC[O](158) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C=COOC(232) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: C=COCO(233) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: CC=O(126) + C[CH2](6) <=> C=C[O](148) + CC(175) origin: H_Abstraction
rxn: C[C]=O(114) + CC(175) <=> CC=O(126) + C[CH2](6) origin: H_Abstraction
rxn: CC=O(126) + C[CH2](6) <=> C[CH]OCC(234) origin: R_Addition_MultipleBond
rxn: CC=O(126) + C[CH2](6) <=> CCC(C)[O](125) origin: R_Addition_MultipleBond
rxn: [CH2]C=C(67) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]C=C(67) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + C=CC(18) <=> CC1CCO1(235) origin: 2+2_cycloaddition
rxn: C=O(191) + C=CC(18) <=> CC1COC1(236) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CC(5) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]C(144) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C=CCOC(237) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: C=CCCO(196) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: CC(175) + [CH2]C=C(67) <=> C[CH2](6) + C=CC(18) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + C=[C]C(171) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + [CH]=CC(172) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> [CH2]C(C)CC(15) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: CC(175) + C[CH]C(144) <=> C[CH2](6) + CCC(156) origin: H_Abstraction
rxn: C[CH2](6) + CCC(156) <=> CC(175) + [CH2]CC(5) origin: H_Abstraction
rxn: CC=C[O](214) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH2](6) + CCCO[O](154) <=> C=C(50) + CCCOO(159) origin: Disproportionation
rxn: C[CH2](6) + CCCO[O](154) <=> CCCOOCC(238) origin: R_Recombination
rxn: CC[CH]O(192) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: CC(175) + CCCO[O](154) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + C[CH]COO(176) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + CC[CH]OO(58) origin: H_Abstraction
rxn: CC(175) + [CH2]CCOO(81) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: CC=C[O](214) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + CCC=O(180) <=> CCC1COO1(239) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CC[CH]O(192) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CCC[O](179) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: CC=COOC(240) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: CC=COCO(241) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: C[CH2](6) + CCC=O(180) <=> CC(175) + CC=C[O](214) origin: H_Abstraction
rxn: CC(175) + [CH2]CC=O(215) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: CC(175) + CC[C]=O(216) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: C[CH2](6) + CCC=O(180) <=> CC[CH]OCC(242) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CCC=O(180) <=> CCC([O])CC(44) origin: R_Addition_MultipleBond
rxn: C=O(191) + C=O(191) <=> C1COO1(243) origin: 2+2_cycloaddition
rxn: [CH]=O(147) + [CH2]O(218) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + C[O](219) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + CC(175) <=> C=O(191) + C[CH2](6) origin: H_Abstraction
rxn: C=O(191) + C[CH2](6) <=> [CH2]OCC(244) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + C[CH2](6) <=> C=C(50) + CC(175) origin: Disproportionation
rxn: C[CH2](6) + C[CH2](6) <=> CCCC(4) origin: R_Recombination
rxn: CCCO[O](154) + CCCC(C)OO[O](48) <=> oxygen(1) + CCC=O(180) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCC(C)OO[O](48) <=> oxygen(1) + C=O(191) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)OO[O](49) <=> oxygen(1) + CCC=O(180) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CO[O](245) + CCC(CC)OO[O](49) <=> oxygen(1) + C=O(191) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCO[O](154) <=> oxygen(1) + OO(23) + CCC=O(180) origin: Peroxyl_Termination
rxn: [O]OO(138) + CO[O](245) <=> oxygen(1) + OO(23) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCOO[O](139) <=> oxygen(1) + CCC=O(180) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCCCOO[O](139) <=> oxygen(1) + C=O(191) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CO[O](245) <=> oxygen(1) + O(42) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CCC=O(180) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CO[O](245) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + C=O(191) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCOO[O](189) <=> oxygen(1) + CCC=O(180) + CCCOO(159) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCOO[O](189) <=> oxygen(1) + C=O(191) + CCCOO(159) origin: Peroxyl_Termination

Details

Observables Test Case: RMS_CSTR_liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_CSTR_liquid_oxidation Passed Observable Testing ✅

Regression test fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:42
Current: Execution time (DD:HH:MM:SS): 00:00:00:30
Reference: Memory used: 2656.81 MB
Current: Memory used: 1943.96 MB

fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

fragment Passed Edge Comparison ✅

Original model has 33 species.
Test model has 33 species. ✅
Original model has 47 reactions.
Test model has 47 reactions. ✅

Details

Observables Test Case: fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test RMS_constantVIdealGasReactor_fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:03:08
Current: Execution time (DD:HH:MM:SS): 00:00:01:42
Reference: Memory used: 3624.92 MB
Current: Memory used: 2338.21 MB

RMS_constantVIdealGasReactor_fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

RMS_constantVIdealGasReactor_fragment Passed Edge Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 24 reactions.
Test model has 24 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test minimal_surface:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:45
Current: Execution time (DD:HH:MM:SS): 00:00:00:31
Reference: Memory used: 2840.60 MB
Current: Memory used: 2032.90 MB

minimal_surface Passed Core Comparison ✅

Original model has 11 species.
Test model has 11 species. ✅
Original model has 3 reactions.
Test model has 3 reactions. ✅

minimal_surface Passed Edge Comparison ✅

Original model has 38 species.
Test model has 38 species. ✅
Original model has 38 reactions.
Test model has 38 reactions. ✅

Details

Observables Test Case: minimal_surface Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

minimal_surface Passed Observable Testing ✅

beep boop this comment was written by a bot 🤖

sevyharris

This mostly looks good to me. I tested the basic functionality of turning Julia on and off using the RMG_DISABLE_JULIA environment variable and the rmgpy.DISABLE_JULIA variable. Very excited to have those to work with.

I confirmed that checkModels still works with Julia disabled.

I found a single typo in the documentation.

For CI.yml:
I'm a little confused by the description of the changes and what I see implemented in the code. My understanding from the PR summary is that we want to change the error logging so that it appends stderr instead of overwriting with both stdout and stderr, but I only see &> and 2> bash commands instead of &>> and 2>> . Apologies if I've missed something obvious but I don't see how any of the changes fix the problem of overwriting instead of appending. Maybe that half of the problem was fixed in a previous PR and this one only deals with writing stderr instead of both stdout and stderr?

make eg8 make eg9 make eg10 Now run examples with RMS reactors and Julia, should you want to test those.

This is to avoid the line WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace: showing up in the regression results. But it might speed things up a little too.

Just to save wall clock time, we could let the regression tests start before the full matrix of unit tests is complete. Some of them (especially the mac os ones) take a couple of hours. Possible drawback is we'll get comment annotations about the regression tests even if the unit tests fail. But maybe that's not a bad thing. The build and push docker now requires both build-and-test as well as regression-test to succeed.

rwest · 2025-06-03T19:39:38Z

Thanks for the review. I've fixed the typo.

I'm a little confused by the description of the changes and what I see implemented in the code. My understanding from the PR summary is that we want to change the error logging so that it appends stderr instead of overwriting with both stdout and stderr, but I only see &> and 2> bash commands instead of &>> and 2>> . Apologies if I've missed something obvious but I don't see how any of the changes fix the problem of overwriting instead of appending. Maybe that half of the problem was fixed in a previous PR and this one only deals with writing stderr instead of both stdout and stderr?

The problem was that it looped through multiple tasks, overwriting the file each time, then reported the summary at the end (which only contained the last error message).
One solution would have been to append instead of overwriting (with >>), but that would have made it hard to see when the errors occurred, so instead I chose to still overwrite the file (still with >) but now report the errors at the end of each loop instead of only at the end of all the loops. So each job gets its own error message (if it's not empty). The problem with it capturing both streams (&>) meant that things intended for the standard output ended up in the error log; now it just captures the error stream (2>)

sevyharris · 2025-06-03T19:43:16Z

Thanks for the review. I've fixed the typo.

I'm a little confused by the description of the changes and what I see implemented in the code. My understanding from the PR summary is that we want to change the error logging so that it appends stderr instead of overwriting with both stdout and stderr, but I only see &> and 2> bash commands instead of &>> and 2>> . Apologies if I've missed something obvious but I don't see how any of the changes fix the problem of overwriting instead of appending. Maybe that half of the problem was fixed in a previous PR and this one only deals with writing stderr instead of both stdout and stderr?

The problem was that it looped through multiple tasks, overwriting the file each time, then reported the summary at the end (which only contained the last error message). One solution would have been to append instead of overwriting (with >>), but that would have made it hard to see when the errors occurred, so instead I chose to still overwrite the file (still with >) but now report the errors at the end of each loop instead of only at the end of all the loops. So each job gets its own error message (if it's not empty). The problem with it capturing both streams (&>) meant that things intended for the standard output ended up in the error log; now it just captures the error stream (2>)

Thanks, that clears things up!

sevyharris · 2025-06-03T19:57:41Z

I think we shouldn't alert "Errors occurred during core comparison ⚠️" for the line
WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace:
because it's fully expected in this context.

But whether we should hide this line just in this context, or not print it to STDERR in the first place, what do you think? There's something to be said for making general users aware that RMS wasn't loaded if it was an accident. But it's annoying to warn them loudly (to STDERR) if they did it on purpose.

I agree that would be an excessive error to display. I didn't see any examples of this in the CI logs, so I'm guessing I got to this comment too late and it was fixed in a later commit. As it stands, I think this PR does a good job of raising Julia Import errors in reactionmechanismsimulator_reactors.py. It's easy to disable Julia and therefore silence this warning, but if you attempt to load Julia, it warns you if that fails. Seems like the right balance to me.

sevyharris

Looks good! Thanks for implementing an easy on/off switch for the Julia import.

github-actions · 2025-06-03T21:08:26Z

Regression Testing Results

⚠️ One or more regression tests failed.
Please download the failed results and run the tests locally or check the log to see why.

Detailed regression test results.

Regression test aromatics:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:07
Current: Execution time (DD:HH:MM:SS): 00:00:00:50
Reference: Memory used: 2756.31 MB
Current: Memory used: 2146.34 MB

aromatics Passed Core Comparison ✅

Original model has 15 species.
Test model has 15 species. ✅
Original model has 11 reactions.
Test model has 11 reactions. ✅

aromatics Passed Edge Comparison ✅

Original model has 106 species.
Test model has 106 species. ✅
Original model has 358 reactions.
Test model has 358 reactions. ✅

Details

Observables Test Case: Aromatics Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

aromatics Passed Observable Testing ✅

Regression test liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:21
Current: Execution time (DD:HH:MM:SS): 00:00:01:54
Reference: Memory used: 2862.43 MB
Current: Memory used: 2226.40 MB

liquid_oxidation Passed Core Comparison ✅

Original model has 37 species.
Test model has 37 species. ✅
Original model has 241 reactions.
Test model has 241 reactions. ✅

liquid_oxidation Failed Edge Comparison ❌

Original model has 214 species.
Test model has 214 species. ✅
Original model has 1590 reactions.
Test model has 1593 reactions. ❌
The original model has 4 reactions that the tested model does not have. ❌
rxn: C[CH]CC(C)OO(31) <=> [OH](22) + CCCC(C)=O(28) origin: intra_H_migration
rxn: C[CH]CCCOO(63) <=> [OH](22) + CCCCC=O(60) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(118) <=> CC(CC[CH]OO)OO(133) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(118) <=> C[C](CCCOO)OO(132) origin: intra_H_migration
The tested model has 7 reactions that the original model does not have. ❌
rxn: C[CH]CC(C)OO(32) <=> CCC[C](C)OO(78) origin: intra_H_migration
rxn: CCCC[CH]OO(96) <=> C[CH]CCCOO(63) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(118) <=> [OH](22) + CC(CCC=O)OO(119) origin: intra_H_migration
rxn: CC(C[CH]COO)OO(118) <=> [OH](22) + CC(=O)CCCOO(115) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC([O])CC(C)OO(110) + CC([O])CCCOO(122) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CC(C)OO(100) + CC(O)CCCOO(152) origin: Peroxyl_Termination
rxn: CC(CC(C)OO)O[O](90) + CC(CCCOO)O[O](108) <=> oxygen(1) + CC(=O)CCCOO(115) + CC(O)CC(C)OO(143) origin: Peroxyl_Termination

Details

Observables Test Case: liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

liquid_oxidation Passed Observable Testing ✅

Regression test nitrogen:

Reference: Execution time (DD:HH:MM:SS): 00:00:01:27
Current: Execution time (DD:HH:MM:SS): 00:00:00:58
Reference: Memory used: 2860.71 MB
Current: Memory used: 2192.08 MB

nitrogen Passed Core Comparison ✅

Original model has 41 species.
Test model has 41 species. ✅
Original model has 360 reactions.
Test model has 360 reactions. ✅

nitrogen Failed Edge Comparison ❌

Original model has 133 species.
Test model has 133 species. ✅
Original model has 983 reactions.
Test model has 983 reactions. ✅

Non-identical thermo! ❌
original: O1[C]=N1
tested: O1[C]=N1

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
116.46	53.90	11.62	12.71	13.49	13.96	14.14	13.85	13.58
141.64	58.66	12.26	12.27	12.09	11.96	12.26	12.72	12.15

thermo: Thermo group additivity estimation: group(O2s-CdN3d) + group(N3d-OCd) + group(Cd-HN3dO) + ring(Cyclopropene) + radical(CdJ-NdO)
thermo: Thermo group additivity estimation: group(O2s-CdN3d) + group(N3d-OCd) + group(Cd-HN3dO) + ring(oxirene) + radical(CdJ-NdO)

Non-identical kinetics! ❌
original:
rxn: NCO(66) <=> O1[C]=N1(126) origin: Intra_R_Add_Endocyclic
tested:
rxn: NCO(66) <=> O1[C]=N1(126) origin: Intra_R_Add_Endocyclic

k(1bar)	300K	400K	500K	600K	800K	1000K	1500K	2000K
k(T):	-49.54	-33.65	-24.16	-17.85	-10.01	-5.35	0.80	3.82
k(T):	-66.25	-46.19	-34.19	-26.21	-16.28	-10.36	-2.54	1.31

kinetics: Arrhenius(A=(6.95187e+18,'s^-1'), n=-1.628, Ea=(88.327,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H""")
kinetics: Arrhenius(A=(6.95187e+18,'s^-1'), n=-1.628, Ea=(111.271,'kcal/mol'), T0=(1,'K'), comment="""Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H""")
Identical kinetics comments:
kinetics: Estimated from node Backbone0_N-2R!H-inRing_N-1R!H-inRing_Sp-2R!H-1R!H

Details

Observables Test Case: NC Comparison

✅ All Observables varied by less than 0.200 on average between old model and new model in all conditions!

nitrogen Passed Observable Testing ✅

Regression test oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:30
Current: Execution time (DD:HH:MM:SS): 00:00:01:31
Reference: Memory used: 2736.71 MB
Current: Memory used: 2167.04 MB

oxidation Passed Core Comparison ✅

Original model has 59 species.
Test model has 59 species. ✅
Original model has 694 reactions.
Test model has 694 reactions. ✅

oxidation Passed Edge Comparison ✅

Original model has 230 species.
Test model has 230 species. ✅
Original model has 1526 reactions.
Test model has 1526 reactions. ✅

Details

Observables Test Case: Oxidation Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

oxidation Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test sulfur:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:56
Current: Execution time (DD:HH:MM:SS): 00:00:00:38
Reference: Memory used: 2840.98 MB
Current: Memory used: 2273.42 MB

sulfur Passed Core Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 74 reactions.
Test model has 74 reactions. ✅

sulfur Failed Edge Comparison ❌

Original model has 89 species.
Test model has 89 species. ✅
Original model has 227 reactions.
Test model has 227 reactions. ✅
The original model has 1 reactions that the tested model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary
The tested model has 1 reactions that the original model does not have. ❌
rxn: O(4) + SO2(15) (+N2) <=> SO3(16) (+N2) origin: primarySulfurLibrary

Details

Observables Test Case: SO2 Comparison

The following observables did not match:

❌ Observable species O=S=O varied by more than 0.100 on average between old model SO2(15) and new model SO2(15) in condition 1.

⚠️ The following reaction conditions had some discrepancies:
Condition 1:
Reactor Type: IdealGasReactor
Reaction Time: 0.01 s
T0: 900 K
P0: 30 bar
Initial Mole Fractions: {'S': 0.000756, '[O][O]': 0.00129, 'N#N': 0.997954}

sulfur Failed Observable Testing ❌

Regression test superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:39
Current: Execution time (DD:HH:MM:SS): 00:00:00:25
Reference: Memory used: 2926.44 MB
Current: Memory used: 2302.31 MB

superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 21 reactions.
Test model has 21 reactions. ✅

superminimal Failed Edge Comparison ❌

Original model has 18 species.
Test model has 18 species. ✅
Original model has 28 reactions.
Test model has 28 reactions. ✅

Non-identical thermo! ❌
original: [O]OOO
tested: [O]OOO

Hf(300K)	S(300K)	Cp(300K)	Cp(400K)	Cp(500K)	Cp(600K)	Cp(800K)	Cp(1000K)	Cp(1500K)
20.55	73.45	16.83	18.19	18.99	19.52	20.44	21.47	23.15
20.55	74.76	16.83	18.19	18.99	19.52	20.44	21.47	23.15

Identical thermo comments:
thermo: QM MopacMolPM3 calculation attempt 1 + radical(ROOJ)

Regression test RMS_constantVIdealGasReactor_superminimal:

Reference: Execution time (DD:HH:MM:SS): 00:00:02:25
Current: Execution time (DD:HH:MM:SS): 00:00:01:17
Reference: Memory used: 3471.72 MB
Current: Memory used: 2396.92 MB

RMS_constantVIdealGasReactor_superminimal Passed Core Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

RMS_constantVIdealGasReactor_superminimal Passed Edge Comparison ✅

Original model has 13 species.
Test model has 13 species. ✅
Original model has 19 reactions.
Test model has 19 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_superminimal Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_superminimal Passed Observable Testing ✅

Regression test RMS_CSTR_liquid_oxidation:

Reference: Execution time (DD:HH:MM:SS): 00:00:06:14
Current: Execution time (DD:HH:MM:SS): 00:00:15:01
Reference: Memory used: 3467.10 MB
Current: Memory used: 2535.58 MB

RMS_CSTR_liquid_oxidation Failed Core Comparison ❌

Original model has 37 species.
Test model has 35 species. ❌
Original model has 202 reactions.
Test model has 149 reactions. ❌
The original model has 11 species that the tested model does not have. ❌
spc: CCH2
spc: C=CC(18)
spc: CC(=O)CC(C)OO(95)
spc: CC(CC(C)OO)OO(98)
spc: C=CCC(C)O(152)
spc: CCCOO
spc: CCC(156)
spc: CCCOO(159)
spc: CCCO
spc: CCC=O(180)
spc: C=O(191)
The tested model has 9 species that the original model does not have. ❌
spc: CC=CCC(16)
spc: [CH2]CC(CC)OO(32)
spc: CCC([O])CC(41)
spc: CC[CH]CCOO(74)
spc: C[CH]CCCOO(75)
spc: [CH2]CCCCOO(76)
spc: CCCCCO
spc: CC1CC(C)O1(96)
spc: CC=CC(C)OO(97)
The original model has 110 reactions that the tested model does not have. ❌
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CC(5) <=> pentane(2) origin: R_Recombination
rxn: C[CH]CCC(11) <=> C[CH2](6) + C=CC(18) origin: R_Addition_MultipleBond
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
The tested model has 57 reactions that the original model does not have. ❌
rxn: oxygen(1) + CC[CH]CC(7) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]CCC(11) <=> [O]O(13) + CC=CCC(16) origin: Disproportionation
rxn: [O]O(13) + CC[CH]CC(7) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: [O]O(13) + C[CH]CCC(11) <=> OO(23) + CC=CCC(16) origin: Disproportionation
rxn: CC[CH]CC(7) + CC[CH]CC(7) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCC(11) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CCC(CC)O[O](21) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: CCCC(C)O[O](22) <=> [O]O(13) + CC=CCC(16) origin: HO2_Elimination_from_PeroxyRadical
rxn: oxygen(1) + C[CH]CC(C)OO(37) <=> [O]O(13) + CC=CC(C)OO(97) origin: Disproportionation
rxn: CCC(CC)O[O](21) <=> [CH2]CC(CC)OO(32) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CC(CC)OO(32) <=> oxygen(1) + CCC(CC)OO(26) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(CC)OO(32) <=> [O]O(13) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> CC[CH]CC(7) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> C[CH]CCC(11) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCC(CC)OO(26) <=> CCC(CC)O[O](21) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(32) + pentane(2) <=> [CH2]CCCC(12) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(26) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CC(CC)OO(32) <=> C=CCCC(18) + CCC(CC)OO(26) origin: Disproportionation
rxn: [CH2]CC(CC)OO(32) + CCCCCOO(78) <=> CCCCCO[O](61) + CCC(CC)OO(26) origin: H_Abstraction
rxn: [OH](24) + CCC(CC)OO(26) <=> O(42) + [CH2]CC(CC)OO(32) origin: H_Abstraction
rxn: [OH](24) + CCCCC[O](79) <=> CCCCCOO(78) origin: R_Recombination
rxn: CCCC(C)OO(27) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCC(C)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(26) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCC(CC)O[O](21) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOO(78) <=> O(42) + CCCCC[O](79) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) <=> C[CH]CCCOO(75) origin: intra_H_migration
rxn: [O]O(13) + C[CH]CCCOO(75) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + C[CH]CCCOO(75) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(75) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](24) + CCCCCOO(78) <=> O(42) + C[CH]CCCOO(75) origin: H_Abstraction
rxn: [CH2]CCCC(12) + C[CH]CCCOO(75) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CCCOO(75) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [O]O(13) + CCC(CC)O[O](21) <=> oxygen(1) + [OH](24) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](21) + CCC(CC)O[O](21) <=> oxygen(1) + CCC([O])CC(41) + CCC([O])CC(41) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](21) + CCCC(C)O[O](22) <=> oxygen(1) + CCC([O])CC(41) + CCCC(C)[O](44) origin: Peroxyl_Disproportionation
rxn: [OH](24) + CCC([O])CC(41) <=> CCC(CC)OO(26) origin: R_Recombination
rxn: CCC(CC)OO(26) + CCCC(C)OO(27) <=> O(42) + CCC([O])CC(41) + CCCC(C)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(26) + CCC(CC)OO(26) <=> O(42) + CCC([O])CC(41) + CCC(CC)O[O](21) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(26) + CCCCCOO(78) <=> O(42) + CCC([O])CC(41) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OO(26) <=> [O]O(13) + O(42) + CCC([O])CC(41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) <=> [CH2]CCCCOO(76) origin: intra_H_migration
rxn: [O]O(13) + [CH2]CCCCOO(76) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + [CH2]CCCCOO(76) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(76) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](24) + CCCCCOO(78) <=> O(42) + [CH2]CCCCOO(76) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCCCOO(76) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCCOO(76) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)OO(37) <=> [OH](24) + CC1CC(C)O1(96) origin: Cyclic_Ether_Formation
rxn: CC[CH]CCOO(74) <=> CCCCCO[O](61) origin: intra_H_migration
rxn: [O]O(13) + CC[CH]CCOO(74) <=> oxygen(1) + CCCCCOO(78) origin: H_Abstraction
rxn: OO(23) + CC[CH]CCOO(74) <=> [O]O(13) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CCOO(74) + CCCC(C)OO(27) <=> CCCC(C)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](24) + CCCCCOO(78) <=> O(42) + CC[CH]CCOO(74) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC[CH]CCOO(74) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + CC[CH]CCOO(74) <=> C=CCCC(18) + CCCCCOO(78) origin: Disproportionation

RMS_CSTR_liquid_oxidation Failed Edge Comparison ❌

Original model has 248 species.
Test model has 99 species. ❌
Original model has 2057 reactions.
Test model has 386 reactions. ❌
The original model has 149 species that the tested model does not have. ❌
spc: [O]OOO(21)
spc: CCCC(C)OOOO
spc: CCC(CC)OOOO
spc: CCCCCOOOO
spc: CC(CCOO)OO
spc: CC(CCO[O])OO(93)
spc: CC1CC(C)OOO1(94)
spc: CC(=O)CC(C)OO(95)
spc: CC([CH]C(C)OO)OO(96)
spc: [CH2]C(CC(C)OO)OO(97)
spc: CC(CC(C)OO)OO(98)
spc: CC([O])CC(C)OO(99)
spc: CCCCCO(100)
spc: CC(O)CC(C)OO(101)
spc: [C-]#O+
spc: CC(=O)CCOO(103)
spc: C=C(C)OC(C)OO(104)
spc: CC(O)=CC(C)OO(105)
spc: C=C(O)CC(C)OO(106)
spc: CC1CC(C)(O)OO1(107)
spc: CC(=O)CC(C)O
spc: C[CH]CC(C)=O(109)
spc: CC(=O)CC(C)OO
spc: C=C(C)O
spc: CC(=O)C[CH]OO(112)
spc: CCOO(113)
spc: C[C]=O(114)
spc: CC([O])=CC(C)OO(115)
spc: [CH2]C(CC(C)=O)OO(116)
spc: CC(C[C]=O)OO(117)
spc: C=C([O])CC(C)OO(118)
spc: C=C(C)O(119)
spc: C=COO(120)
spc: CC(CCOO)OO(121)
spc: CC(C[CH]OO)OO(122)
spc: CCOO(123)
spc: CCCC(C)OO(133)
spc: CCCCCOOOO(134)
spc: CCCC(C)OOO(135)
spc: CCC[CH]CO(136)
spc: CC(CC(C)([O])O)OO(137)
spc: [O]OO(138)
spc: CCCCCOOO
spc: CC(=O)CC(C)OOO
spc: OOO(141)
spc: CCC(CC)OOO(142)
spc: CCCCCOOO(143)
spc: C[CH]C(144)
spc: C(145)
spc: C=CO(146)
spc: [CH]=O(147)
spc: C=CO
spc: [CH2]CCCO(149)
spc: [CH2]CC=CC(150)
spc: [CH2]CO(151)
spc: C=CCC(C)O(152)
spc: [CH2]C(C)O(153)
spc: CCCOO
spc: CC(O)CCCOO
spc: CCC(156)
spc: C[CH]O(157)
spc: CCO
spc: CCCOO(159)
spc: CC(O)OO
spc: C[CH]OOO(161)
spc: CC([O])OO(162)
spc: CC(O)CCCOO(163)
spc: CCCO(164)
spc: CC([O])O(165)
spc: C[CH]OCCC(166)
spc: CC1OOC1C(167)
spc: C=COOCC(168)
spc: C=COC(C)O(169)
spc: CCOO
spc: C=[C]C(171)
spc: [CH]=CC(172)
spc: C[C]C(173)
spc: [CH]CC(174)
spc: CC(175)
spc: C[CH]COO(176)
spc: CCCOOOO
spc: CC(C)OO
spc: CCCO
spc: CCC=O(180)
spc: CCCOOOO(181)
spc: CC(C)O(182)
spc: CC1COC1C(183)
spc: C=COC(C)C(184)
spc: C=COCCC(185)
spc: C=CCOCC(186)
spc: C[CH]OOOCCC(187)
spc: CCCOOC(C)O
spc: CCCOOO
spc: CCCOOO(190)
spc: C=O(191)
spc: CC[CH]O(192)
spc: C[CH]CO(193)
spc: [CH2]CCO(194)
spc: CCOO(195)
spc: C=CCCO(196)
spc: C=CC=CC(197)
spc: C=CCC=C(198)
spc: C=CCC(C)O
spc: C=CC[CH]O(200)
spc: C=CCCO(201)
spc: C=C[CH]C(C)O(202)
spc: [CH2]C(O)CC=C(203)
spc: C=[C]CC(C)O(204)
spc: [CH]=CCC(C)O(205)
spc: C[C]CC(C)O(206)
spc: [CH]CCC(C)O(207)
spc: CC(O)CCCO(208)
spc: CC(O)CC(C)O(209)
spc: C[CH]OOCCC(210)
spc: CCCOC(C)O
spc: C=COC(212)
spc: CC=CO(213)
spc: CC=CO
spc: [CH2]CC=O(215)
spc: CC[C]=O(216)
spc: [H]H
spc: [CH2]O(218)
spc: CO
spc: CCC(O)OO
spc: CC[CH]OOO(221)
spc: CCC([O])OO(222)
spc: [O]OCO(223)
spc: [CH2]OOO(224)
spc: [O]COO(225)
spc: CCC1OOC1C(226)
spc: C=COOCCC(227)
spc: C=COC(O)CC(228)
spc: CC=COOCC(229)
spc: CC=COC(C)O(230)
spc: CC1COO1(231)
spc: C=COOC(232)
spc: C=COCO(233)
spc: C[CH]OCC(234)
spc: CC1CCO1(235)
spc: CC1COC1(236)
spc: C=CCOC(237)
spc: CCCOOCC(238)
spc: CCC1COO1(239)
spc: CC=COOC(240)
spc: CC=COCO(241)
spc: CC[CH]OCC(242)
spc: C1COO1(243)
spc: [CH2]OCC(244)
spc: COO
The original model has 1671 reactions that the tested model does not have. ❌
rxn: oxygen(1) + O(42) <=> [OH](25) + [O]O(13) origin: H_Abstraction
rxn: [OH](25) + OO(23) <=> [O]O(13) + O(42) origin: H_Abstraction
rxn: [OH](25) + [CH2]CCCC(12) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: [OH](25) + C[CH]CCC(11) <=> O(42) + C=CCCC(17) origin: Disproportionation
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC(=O)CC(C)OO(95) origin: intra_H_migration
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + O(42) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [O]O(13) + C[CH]CC(C)OO(34) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> C=CCCC(17) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC(CC(C)OO)O[O](91) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [OH](25) + O(42) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: oxygen(1) + [CH2]CC(5) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: [OH](25) + [CH2]CC(5) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH2]CC(5) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> [CH2]CC(5) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> oxygen(1) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: OO(23) + [CH2]CC(5) <=> [O]O(13) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: [OH](25) + CCC(156) <=> O(42) + [CH2]CC(5) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: CCCO[O](154) <=> oxygen(1) + [CH2]CC(5) origin: R_Recombination
rxn: CCCO[O](154) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + [OH](25) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC[O](179) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC[O](179) + CCC[O](179) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + [CH2]CC(5) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CC[CH]CC(7) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCC(11) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CCCO[O](154) + pentane(2) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCCO[O](154) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + CCCC(C)O[O](20) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CC(C)OO(34) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)O[O](22) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: OO(23) + CCCO[O](154) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCO[O](61) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: [OH](25) + CCCOO(159) <=> O(42) + CCCO[O](154) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> [O]O(13) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> OO(23) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)O(152) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: CCCO[O](154) + [CH2]CCC(C)O(132) <=> CCCOO(159) + C=CCC(C)O(152) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> CCCOO(159) origin: R_Recombination
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCC[O](179) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCC[O](179) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [O]O(13) + O(42) + CCC[O](179) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCOO(159) <=> [OH](25) + O(42) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCC[O](179) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + [CH2]CCC(C)O(132) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCC[O](179) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOO(159) <=> O(42) + CCC[O](179) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCO[O](154) <=> oxygen(1) + O(42) + CCC=O(180) origin: Peroxyl_Termination
rxn: oxygen(1) + CCC[O](179) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [O]O(13) + CCC[O](179) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=O(191) + C[CH2](6) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [OH](25) + CCC[O](179) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: CCC[O](179) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: oxygen(1) + [O]O(13) <=> [O]OOO(21) origin: R_Recombination
rxn: oxygen(1) + CCCC(C)O[O](20) <=> CCCC(C)OOO[O](39) origin: R_Recombination
rxn: oxygen(1) + CCC(CC)O[O](22) <=> CCC(CC)OOO[O](40) origin: R_Recombination
rxn: oxygen(1) + CCCCCO[O](61) <=> CCCCCOOO[O](77) origin: R_Recombination
rxn: C=CC[CH]C(69) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CCC(11) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> C[CH]CCC(11) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + CC[CH]CC(7) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> CC[CH]CC(7) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)O[O](20) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=CCCC(17) + CCC(CC)O[O](22) <=> [CH2]C=CCC(71) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCC(CC)OO(27) <=> C=CCCC(17) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> C=CC[CH]C(69) + pentane(2) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCCC(12) <=> [CH2]C=CCC(71) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: C=[C]CCC(73) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CCCC(74) + pentane(2) <=> C=CCCC(17) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CC[CH]CCOO(64) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCC[CH]COO(63) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> C[CH]CCCOO(65) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCCCOO(78) <=> CCCC[CH]OO(84) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + pentane(2) <=> [CH2]CCCC(12) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=CCCC(17) + CCCCCO[O](61) <=> [CH2]C=CCC(71) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCCCOO(78) <=> C=CCCC(17) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCCCOO(78) origin: H_Abstraction
rxn: C=CC[CH]C(69) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=CCCC(17) + C[CH]CC(C)OO(34) <=> [CH2]C=CCC(71) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)OO(24) <=> C=CCCC(17) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]CCOO(64) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2](3) + CC(CCOO)O[O](92) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(CCO[O])OO(93) <=> CC(CC(C)OO)O[O](91) origin: 1,2_Insertion_carbene
rxn: CC(CC(C)OO)O[O](91) <=> [OH](25) + CC1CC(C)OOO1(94) origin: Cyclic_Ether_Formation
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + CC=CC(C)OO(88) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC(CC(C)OO)O[O](91) <=> [O]O(13) + C=CCC(C)OO(89) origin: HO2_Elimination_from_PeroxyRadical
rxn: CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: CC(CC(C)OO)O[O](91) <=> [CH2]C(CC(C)OO)OO(97) origin: intra_H_migration
rxn: [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)O[O](91) origin: intra_H_migration
rxn: [H](8) + [OH](25) <=> O(42) origin: R_Recombination
rxn: C[CH]CCC(11) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CCC(11) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CCC(11) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [O]O(13) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + [OH](25) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)O[O](20) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CCC(CC)O[O](22) <=> CC=CCC(16) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)[O](41) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCC(C)=O(31) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)[O](41) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCC(C)=O(31) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC([O])CC(44) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCC(=O)CC(36) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC([O])CC(44) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC(=O)CC(36) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: CCC[C](C)OO(55) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]C(C)OO(32) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[C](CC)OO(59) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]C(CC)OO(37) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]CC(CC)OO(38) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC[O](79) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCCC=O(62) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCO(100) origin: Peroxyl_Termination
rxn: C=CC[CH]C(69) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=CCCC(17) + CC(CC(C)OO)O[O](91) <=> [CH2]C=CCC(71) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]CCC(73) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CC(CC(C)OO)OO(98) <=> C=CCCC(17) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: O(42) + C=CCCC(17) <=> CCCCCO(100) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCCC(17) <=> CCCC(C)O(46) origin: 1,3_Insertion_ROR
rxn: CC[CH]CCOO(64) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC[CH]COO(63) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]CCCOO(65) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCC[CH]OO(84) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCCCOO(78) origin: H_Abstraction
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC([O])CC(C)OO(99) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CC(CC(C)OO)O[O](91) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CCC(C)OO(52) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC(=O)CCOO(103) <=> CC(=O)CC(C)OO(95) origin: 1,2_Insertion_carbene
rxn: C=C(C)OC(C)OO(104) <=> CC(=O)CC(C)OO(95) origin: 1,3_sigmatropic_rearrangement
rxn: CC(O)=CC(C)OO(105) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: C=C(O)CC(C)OO(106) <=> CC(=O)CC(C)OO(95) origin: Ketoenol
rxn: CC(=O)CC(C)OO(95) <=> CC1CC(C)(O)OO1(107) origin: Korcek_step1
rxn: [OH](25) + CC(=O)CC(C)[O](108) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [O]O(13) + C[CH]CC(C)=O(109) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC(=O)CC(C)O[O](110) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[CH]OO(53) + C=C(C)[O](111) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(=O)C[CH]OO(112) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)=O)OO(113) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: C[C]=O(114) + [CH2]C(C)OO(56) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + CC([O])=CC(C)OO(115) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)=O)OO(116) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [CH3](10) + CC(C[C]=O)OO(117) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: [H](8) + C=C([O])CC(C)OO(118) <=> CC(=O)CC(C)OO(95) origin: R_Recombination
rxn: CC(=O)CC(C)OO(95) <=> C=COO(120) + C=C(C)O(119) origin: Retroene
rxn: [CH2](3) + CC(CCOO)OO(121) <=> CC(CC(C)OO)OO(98) origin: 1,2_Insertion_carbene
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC(CC(C)OO)O[O](91) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: C[CH]OO(53) + [CH2]C(C)OO(56) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [CH3](10) + CC(C[CH]OO)OO(122) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + C[C](CC(C)OO)OO(123) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + CC([CH]C(C)OO)OO(96) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [H](8) + [CH2]C(CC(C)OO)OO(97) <=> CC(CC(C)OO)OO(98) origin: R_Recombination
rxn: [O]O(13) + CC(=O)CC(C)O[O](110) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)=O)OO(113) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC([O])=CC(C)OO(115) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)=O)OO(116) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C=C([O])CC(C)OO(118) <=> oxygen(1) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + C[C](CC(C)OO)OO(123) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CC([CH]C(C)OO)OO(96) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + [CH2]C(CC(C)OO)OO(97) <=> oxygen(1) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CCC(11) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> C[CH]CCC(11) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + [OH](25) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: [O]O(13) + CCCCCO[O](61) <=> oxygen(1) + O(42) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: [O]O(13) + CCCCCO[O](61) <=> CCCCCOOOO(134) origin: R_Recombination
rxn: oxygen(1) + C[C](O)CC(C)OO(133) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: oxygen(1) + CC([O])CC(C)OO(99) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(=O)CC(C)O[O](110) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)=O)OO(113) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + CC([O])=CC(C)OO(115) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)=O)OO(116) <=> [O]O(13) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [O]O(13) + CC(=O)CC(C)OO(95) <=> OO(23) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: OO(23) + C[C](CC(C)OO)OO(123) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + CC([CH]C(C)OO)OO(96) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: OO(23) + [CH2]C(CC(C)OO)OO(97) <=> [O]O(13) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> OO(23) + CCCC(C)=O(31) origin: Disproportionation
rxn: [O]O(13) + CCCC(C)[O](41) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + CCCC(C)[O](41) <=> CCCC(C)OOO(135) origin: R_Recombination
rxn: CC[CH]CC(7) + [CH2]CCCC(12) <=> CC=CCC(16) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCCCO[O](61) <=> CC=CCC(16) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + C[CH]CC(C)OO(34) <=> CC=CCC(16) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]CC(7) + CC(CC(C)OO)O[O](91) <=> CC=CCC(16) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + CC[CH]CC(7) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC[CH]CC(7) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> CC[CH]CC(7) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: CC[CH]CC(7) + CCCC(C)[O](41) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)O[O](20) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) <=> CC([O])=CC(C)OO(115) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCC(CC)OO(27) <=> CC(=O)CC(C)OO(95) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCC(CC)O[O](22) <=> CCCC(C)=O(31) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC(=O)CC(C)O[O](110) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C[C](CC(C)=O)OO(113) + pentane(2) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> CC([O])=CC(C)OO(115) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + pentane(2) <=> CC(=O)CC(C)OO(95) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCCC(12) <=> C=C([O])CC(C)OO(118) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + pentane(2) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + pentane(2) <=> [CH2]CCCC(12) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + CCCC(C)[O](41) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)[O](108) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCC(C)OO(24) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCC(C)[O](41) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)O[O](20) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)O[O](20) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[C](C)OO(55) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]C(C)OO(32) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]C(CCC)OO(33) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)OO(35) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)OO(24) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)[O](108) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCC(CC)OO(27) <=> O(42) + CC(=O)CC(C)O[O](110) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)O[O](22) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)O[O](22) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[C](CC)OO(59) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(CC)OO(37) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(CC)OO(38) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CC(CC(C)OO)OO(98) <=> O(42) + CCC([O])CC(44) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + C=[C]CCC(73) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> O(42) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [OH](25) + C=CCCC(17) <=> [CH2]C(O)CCC(130) origin: R_Addition_MultipleBond
rxn: [OH](25) + C=CCCC(17) <=> CCC[CH]CO(136) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> O(42) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> C[C](CC(C)OO)OO(123) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(=O)CC(C)OO(95) <=> CC(CC(C)([O])O)OO(137) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: [OH](25) + CC(CC(C)OO)OO(98) <=> O(42) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: [OH](25) + CCCC(C)[O](41) <=> O(42) + CCCC(C)=O(31) origin: Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC[O](79) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCCCO[O](61) + CCCCCO[O](61) <=> oxygen(1) + CCCCC=O(62) + CCCCCO(100) origin: Peroxyl_Termination
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCCCOO(78) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCO[O](61) <=> CC([O])=CC(C)OO(115) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CCCCCOO(78) <=> CC(=O)CC(C)OO(95) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCCCOO(78) <=> CCCCCO[O](61) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCCCO[O](61) <=> CCCC(C)=O(31) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[CH]C(69) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=CCC(71) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCC=C(72) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CCC(73) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[C](O)CC(C)OO(133) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCCC(74) + CC([O])CC(C)OO(99) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCCC(12) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CCC(11) <=> C=CCCC(17) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCCC(12) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + C[C](CC(C)OO)OO(123) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + CC([CH]C(C)OO)OO(96) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]C(CC(C)OO)OO(97) <=> C=CCCC(17) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + CCCC(C)[O](41) <=> [CH2]CCC=C(72) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + CCCC(C)[O](41) origin: H_Abstraction
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [O]O(13) + O(42) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CC(=O)CC(C)OO(95) <=> [OH](25) + O(42) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + C[C](O)CC(C)OO(133) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [O]O(13) + CC([O])CC(C)OO(99) <=> OO(23) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: OO(23) + CC(CC(C)OO)OO(98) <=> [O]O(13) + O(42) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [O]O(13) + CCCC(C)O(46) <=> OO(23) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)[O](108) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CCCCCOO(78) <=> O(42) + CC(=O)CC(C)O[O](110) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCO[O](61) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCO[O](61) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]CCOO(64) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[CH]COO(63) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CCCOO(65) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCC[CH]OO(84) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCCCOO(66) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Disproportionation
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCC[O](79) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> CC=CC(C)OO(88) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)OO(89) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC(=O)CC(C)O[O](110) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C[C](CC(C)=O)OO(113) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> CC([O])=CC(C)OO(115) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)OO(24) <=> CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + C[CH]CC(C)OO(34) <=> C=C([O])CC(C)OO(118) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CCCC(C)=O(31) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)=O)OO(113) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC([O])=CC(C)OO(115) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=C([O])CC(C)OO(118) + CC(CC(C)OO)OO(98) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C](CC(C)OO)OO(123) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC([CH]C(C)OO)OO(96) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)O[O](91) <=> CCCC(C)=O(31) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + C[C](O)CC(C)OO(133) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CC([O])CC(C)OO(99) <=> O(42) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + CCCC(C)[O](41) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) <=> O(42) + CC(=O)CC(C)[O](108) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)O[O](110) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[C](O)CC(C)OO(133) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + CC([O])CC(C)OO(99) <=> CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)O[O](110) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) <=> O(42) + CC(=O)CC(C)[O](108) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[C](O)CC(C)OO(133) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[C](O)CC(C)OO(133) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + C[C](CC(C)OO)OO(123) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + CC([CH]C(C)OO)OO(96) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC([O])CC(C)OO(99) + [CH2]C(CC(C)OO)OO(97) <=> CC(=O)CC(C)OO(95) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + CCCC(C)[O](41) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(CC(C)OO)OO(98) + CC(CC(C)OO)OO(98) <=> O(42) + CC([O])CC(C)OO(99) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CC(CC(C)OO)OO(98) <=> [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + CCCC(C)[O](41) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: [O]OO(138) + CCCC(C)O[O](20) <=> oxygen(1) + [O]O(13) + CCCC(C)[O](41) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCC(C)[O](41) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCC(C)O[O](20) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCC(C)[O](41) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCC(C)OO[O](48) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCC(CC)OO[O](49) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CCCC(C)O[O](20) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)[O](41) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: [O]OO(138) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + OO(23) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCCCOO[O](139) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CC(=O)CC(C)OO[O](140) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CC(=O)CC(C)OO(95) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: OO(23) + OOO(141) <=> [O]O(13) + [O]O(13) + O(42) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCC(C)OO(24) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCC(C)OOO(135) <=> [O]O(13) + O(42) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCC(CC)OO(27) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCC(CC)OOO(142) <=> [O]O(13) + O(42) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OOO(141) + CCCCCOO(78) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: OO(23) + CCCCCOOO(143) <=> [O]O(13) + O(42) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCC(C)OOO(135) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCC(C)OOO(135) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OO(24) + CCCCCOOO(143) <=> O(42) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCC(C)OOO(135) + CC(CC(C)OO)OO(98) <=> O(42) + CCCC(C)O[O](20) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCC(CC)OOO(142) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OO(27) + CCCCCOOO(143) <=> O(42) + CCC(CC)O[O](22) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCC(CC)OOO(142) + CC(CC(C)OO)OO(98) <=> O(42) + CCC(CC)O[O](22) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOO(78) + CCCCCOOO(143) <=> O(42) + CCCCCO[O](61) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCCCOOO(143) + CC(CC(C)OO)OO(98) <=> O(42) + CCCCCO[O](61) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + C[CH2](6) <=> [CH2]CC(5) origin: 1,2_Insertion_carbene
rxn: [CH2]CC(5) <=> [H](8) + C=CC(18) origin: R_Addition_MultipleBond
rxn: [CH3](10) + C=C(50) <=> [CH2]CC(5) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) <=> [CH2]CC(5) origin: intra_H_migration
rxn: [C-]#[O+](102) + C(145) <=> CC=O(126) origin: 1,2_Insertion_CO
rxn: C=CO(146) <=> CC=O(126) origin: Ketoenol
rxn: [CH]=O(147) + [CH3](10) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C=C[O](148) <=> CC=O(126) origin: R_Recombination
rxn: [H](8) + C[C]=O(114) <=> CC=O(126) origin: R_Recombination
rxn: [CH2](3) + [CH2]CCCO(149) <=> [CH2]CCC(C)O(132) origin: 1,2_Insertion_carbene
rxn: O(42) + [CH2]CC=CC(150) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: O(42) + [CH2]CCC=C(72) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [CH2]CO(151) + C=CC(18) <=> [CH2]CCC(C)O(132) origin: 1,3_Insertion_ROR
rxn: [H](8) + C=CCC(C)O(152) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: C=C(50) + [CH2]C(C)O(153) <=> [CH2]CCC(C)O(132) origin: R_Addition_MultipleBond
rxn: [CH2]CCC(C)O(132) <=> C[CH]CC(C)O(131) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CC[CH]C(C)O(129) origin: intra_H_migration
rxn: [CH2]CCC(C)O(132) <=> CCC[C](C)O(128) origin: intra_H_migration
rxn: [CH2]C(O)CCC(130) <=> [CH2]CCC(C)O(132) origin: intra_H_migration
rxn: [O]O(13) + C=C[O](148) <=> oxygen(1) + CC=O(126) origin: H_Abstraction
rxn: oxygen(1) + CC=O(126) <=> [O]O(13) + C[C]=O(114) origin: H_Abstraction
rxn: oxygen(1) + [CH2]CCC(C)O(132) <=> CC(O)CCCO[O](155) origin: R_Recombination
rxn: C[CH]O(157) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CC(7) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCC(11) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCC(12) <=> CC=O(126) + pentane(2) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> CC[CH]CC(7) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> C[CH]CCC(11) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + pentane(2) <=> [CH2]CCCC(12) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CCC(11) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + C[CH]CCC(11) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CCC(11) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C[CH]CCC(11) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: oxygen(1) + C[CH]O(157) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: oxygen(1) + CC[O](158) <=> [O]O(13) + CC=O(126) origin: Disproportionation
rxn: CC(O)O[O](160) <=> [O]O(13) + CC=O(126) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C=C[O](148) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> OO(23) + C[C]=O(114) origin: H_Abstraction
rxn: [O]O(13) + CC=O(126) <=> C[CH]OOO(161) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=O(126) <=> CC([O])OO(162) origin: R_Addition_MultipleBond
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> oxygen(1) + CCCC(C)O(46) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCC(C)O(132) <=> CC(O)CCCOO(163) origin: R_Recombination
rxn: [CH2]CC(5) + CC[CH]CC(7) <=> CCC(156) + CC=CCC(16) origin: Disproportionation
rxn: CC=O(126) + CC[CH]CC(7) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + CC[CH]CC(7) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: CC[CH]CC(7) + [CH2]CCC(C)O(132) <=> CC=CCC(16) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[C]=O(114) + CCCC(C)OO(24) <=> CC=O(126) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=C[O](148) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[C]=O(114) + CCC(CC)OO(27) <=> CC=O(126) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C=C[O](148) + pentane(2) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCCC(12) <=> C[C]=O(114) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCCC(12) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)OO(24) <=> CCC(156) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CCC)OO(33) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)OO(35) <=> [CH2]CC(5) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]O(157) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCCC(C)O[O](20) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CCC[C](C)OO(55) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + CC[CH]C(C)OO(32) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + C[CH]CC(C)OO(34) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CCC)OO(33) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC(C)OO(35) <=> CC=O(126) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCCC(C)O[O](20) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CCC[C](C)OO(55) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> CC[CH]C(C)OO(32) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCC(C)OO(24) <=> C[CH]CC(C)OO(34) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CCC)OO(33) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)OO(35) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(CC)OO(27) <=> CCC(156) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC(156) + [CH2]CC(CC)OO(38) <=> [CH2]CC(5) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH]O(157) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CCC(CC)O[O](22) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + CC[C](CC)OO(59) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(CC)OO(37) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(CC)OO(38) <=> CC=O(126) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CCC(CC)O[O](22) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> CC[C](CC)OO(59) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> C[CH]C(CC)OO(37) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCC(CC)OO(27) <=> [CH2]CC(CC)OO(38) + CCCC(C)O(46) origin: H_Abstraction
rxn: [OH](25) + [CH2]CC(5) <=> CCCO(164) origin: R_Recombination
rxn: [OH](25) + CC=O(126) <=> O(42) + C=C[O](148) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> O(42) + C[C]=O(114) origin: H_Abstraction
rxn: [OH](25) + CC=O(126) <=> C[CH]OO(53) origin: R_Addition_MultipleBond
rxn: [OH](25) + CC=O(126) <=> CC([O])O(165) origin: R_Addition_MultipleBond
rxn: C=C[O](148) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[C]=O(114) + CCCCCOO(78) <=> CC=O(126) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + C=CC[CH]C(69) origin: H_Abstraction
rxn: [CH2]CC(5) + C=CCCC(17) <=> CCC(156) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC=C(72) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + C=[C]CCC(73) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: CCC(156) + [CH]=CCCC(74) <=> [CH2]CC(5) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]O(157) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=CC[CH]C(69) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=CCC(71) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCC=C(72) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + C=[C]CCC(73) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCCC(74) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCCC(12) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CCC(11) <=> CC=O(126) + C=CCCC(17) origin: Disproportionation
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> C=CC[CH]C(69) + CCCC(C)O(46) origin: H_Abstraction
rxn: C=CCCC(17) + [CH2]CCC(C)O(132) <=> [CH2]C=CCC(71) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC=C(72) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=[C]CCC(73) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH]=CCCC(74) + CCCC(C)O(46) <=> C=CCCC(17) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [O]O(13) + C[CH]O(157) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: [O]O(13) + CC[O](158) <=> OO(23) + CC=O(126) origin: Disproportionation
rxn: OO(23) + [CH2]CCC(C)O(132) <=> [O]O(13) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCC[CH]COO(63) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCCCOO(78) <=> CCC(156) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCCOO(66) <=> [CH2]CC(5) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]O(157) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCCCO[O](61) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CC[CH]CCOO(64) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCC[CH]COO(63) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + C[CH]CCCOO(65) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + CCCC[CH]OO(84) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCCCOO(66) <=> CC=O(126) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCCCO[O](61) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CC[CH]CCOO(64) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCC[CH]COO(63) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> C[CH]CCCOO(65) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CCCCCOO(78) <=> CCCC[CH]OO(84) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCCCOO(66) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CCCCCOO(78) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + CC=CC(C)OO(88) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)OO(34) <=> CCC(156) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C=C[O](148) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC=O(126) + C[CH]CC(C)OO(34) <=> C[C]=O(114) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> CC=CC(C)OO(88) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CC(C)OO(34) <=> C=CCC(C)OO(89) + CCCC(C)O(46) origin: Disproportionation
rxn: C=C[O](148) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[C]=O(114) + CC(CC(C)OO)OO(98) <=> CC=O(126) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + C[CH]O(157) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CC[O](158) <=> O(42) + CC=O(126) origin: Disproportionation
rxn: [OH](25) + CCCC(C)O(46) <=> O(42) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)=O)OO(116) <=> [CH2]CC(5) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(=O)CC(C)OO(95) <=> CCC(156) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: C[CH]O(157) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC(=O)CC(C)O[O](110) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)=O)OO(113) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + CC([O])=CC(C)OO(115) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)=O)OO(116) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]O(157) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[O](158) + C=C([O])CC(C)OO(118) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + C[C](O)CC(C)OO(133) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[O](148) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C]=O(114) + CC([O])CC(C)OO(99) <=> CC=O(126) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC(=O)CC(C)O[O](110) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C[C](CC(C)=O)OO(113) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> CC([O])=CC(C)OO(115) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)=O)OO(116) + CCCC(C)O(46) <=> CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: CC(=O)CC(C)OO(95) + [CH2]CCC(C)O(132) <=> C=C([O])CC(C)OO(118) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: [CH2]CC(5) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC(156) + [CH2]C(CC(C)OO)OO(97) <=> [CH2]CC(5) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH]O(157) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC(CC(C)OO)O[O](91) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + C[C](CC(C)OO)OO(123) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + CC([CH]C(C)OO)OO(96) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(CC(C)OO)OO(97) <=> CC=O(126) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC(CC(C)OO)O[O](91) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> C[C](CC(C)OO)OO(123) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) <=> CC([CH]C(C)OO)OO(96) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C(CC(C)OO)OO(97) + CCCC(C)O(46) <=> [CH2]CCC(C)O(132) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC(C)[O](41) <=> CCC(156) + CCCC(C)=O(31) origin: Disproportionation
rxn: CC=O(126) + CCCC(C)[O](41) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + CCCC(C)[O](41) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCCC(C)[O](41) + [CH2]CCC(C)O(132) <=> CCCC(C)=O(31) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + [CH2]CC(5) <=> C=C[O](148) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[C]=O(114) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CC(5) <=> C[CH]OCCC(166) origin: R_Addition_MultipleBond
rxn: [CH2]CC(5) + [CH2]CCC(C)O(132) <=> C=CC(18) + CCCC(C)O(46) origin: Disproportionation
rxn: CC=O(126) + CC=O(126) <=> CC1OOC1C(167) origin: 2+2_cycloaddition
rxn: C=C[O](148) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=C[O](148) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]O(157) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C[C]=O(114) + CC[O](158) <=> CC=O(126) + CC=O(126) origin: Disproportionation
rxn: C=COOCC(168) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: C=COC(C)O(169) <=> CC=O(126) + CC=O(126) origin: Retroene
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C=C[O](148) + CCCC(C)O(46) origin: H_Abstraction
rxn: CC=O(126) + [CH2]CCC(C)O(132) <=> C[C]=O(114) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CCCC(C)O(46) origin: Disproportionation
rxn: CCO[O](170) + CCCC(C)OO[O](48) <=> oxygen(1) + CC=O(126) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCC(CC)OO[O](49) <=> oxygen(1) + CC=O(126) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCO[O](170) <=> oxygen(1) + OO(23) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCCCOO[O](139) <=> oxygen(1) + CC=O(126) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CCO[O](170) <=> oxygen(1) + O(42) + CC=O(126) origin: Peroxyl_Termination
rxn: CCO[O](170) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CC=O(126) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: [CH2](3) + C=C(50) <=> C=CC(18) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + [CH]=C(70) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH2]C=C(67) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + C=[C]C(171) <=> C=CC(18) origin: R_Recombination
rxn: [H](8) + [CH]=CC(172) <=> C=CC(18) origin: R_Recombination
rxn: C[C]C(173) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CC(174) <=> C=CC(18) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC(175) <=> CCC(156) origin: 1,2_Insertion_carbene
rxn: [CH3](10) + C[CH2](6) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + C[CH]C(144) <=> CCC(156) origin: R_Recombination
rxn: [H](8) + [CH2]CC(5) <=> CCC(156) origin: R_Recombination
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCO[O](170) <=> CCCO[O](154) origin: 1,2_Insertion_carbene
rxn: CCCO[O](154) <=> CC[CH]OO(58) origin: intra_H_migration
rxn: CCCO[O](154) <=> C[CH]COO(176) origin: intra_H_migration
rxn: CCCO[O](154) <=> [CH2]CCOO(81) origin: intra_H_migration
rxn: [O]O(13) + [CH2]C=C(67) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=[C]C(171) <=> oxygen(1) + C=CC(18) origin: H_Abstraction
rxn: oxygen(1) + C=CC(18) <=> [O]O(13) + [CH]=CC(172) origin: H_Abstraction
rxn: oxygen(1) + CCC(156) <=> [O]O(13) + C[CH]C(144) origin: H_Abstraction
rxn: oxygen(1) + CCCO[O](154) <=> CCCOOO[O](177) origin: R_Recombination
rxn: C[CH]C(144) + CC[CH]CC(7) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> C=CC(18) + pentane(2) origin: Disproportionation
rxn: C=CC(18) + C[CH]CCC(11) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CCC(11) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: oxygen(1) + C[CH]C(144) <=> [O]O(13) + C=CC(18) origin: Disproportionation
rxn: CC(C)O[O](178) <=> [O]O(13) + C=CC(18) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + [CH2]C=C(67) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + C=[C]C(171) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: OO(23) + [CH]=CC(172) <=> [O]O(13) + C=CC(18) origin: H_Abstraction
rxn: [O]O(13) + C=CC(18) <=> [CH2]C(C)OO(56) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=CC(18) <=> C[CH]COO(176) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC(156) <=> OO(23) + C[CH]C(144) origin: H_Abstraction
rxn: [O]O(13) + CCCO[O](154) <=> CCCOOOO(181) origin: R_Recombination
rxn: C=CC(18) + CC[CH]CC(7) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]C(144) + pentane(2) <=> CCC(156) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCO[O](154) + CC[CH]CC(7) <=> CCCOO(159) + CC=CCC(16) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCCO(164) + CCCC(C)=O(31) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCC(C)O[O](20) <=> oxygen(1) + CCC=O(180) + CCCC(C)O(46) origin: Peroxyl_Termination
rxn: [CH2]C=C(67) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=[C]C(171) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH]=CC(172) + CCC(CC)OO(27) <=> C=CC(18) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)OO(27) <=> CCC(156) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC[O](179) + CCC([O])CC(44) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCCO(164) + CCC(=O)CC(36) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)O[O](22) <=> oxygen(1) + CCC=O(180) + CCC(O)CC(47) origin: Peroxyl_Termination
rxn: C=CC(18) + [CH2]CCCC(12) <=> [CH2]C=C(67) + pentane(2) origin: H_Abstraction
rxn: C=[C]C(171) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: [CH]=CC(172) + pentane(2) <=> C=CC(18) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCCC(12) <=> C[CH]C(144) + pentane(2) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)O[O](20) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CCC[C](C)OO(55) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]C(C)OO(32) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)OO(34) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CCC)OO(33) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC(C)OO(35) <=> C=CC(18) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCCOO(159) + CCC[C](C)OO(55) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]C(C)OO(32) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CCC)OO(33) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)OO(35) <=> CCCO[O](154) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH]C(144) + CCC(CC)O[O](22) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + CC[C](CC)OO(59) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(CC)OO(37) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(CC)OO(38) <=> C=CC(18) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCCOO(159) + CC[C](CC)OO(59) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]C(CC)OO(37) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CC(CC)OO(38) <=> CCCO[O](154) + CCC(CC)OO(27) origin: H_Abstraction
rxn: [CH2]C=C(67) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=[C]C(171) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCCCOO(78) <=> C=CC(18) + CCCCCO[O](61) origin: H_Abstraction
rxn: C[CH]C(144) + CCCCCOO(78) <=> CCC(156) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC[O](179) + CCCCC[O](79) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCCO(164) + CCCCC=O(62) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCO[O](61) <=> oxygen(1) + CCC=O(180) + CCCCCO(100) origin: Peroxyl_Termination
rxn: [CH2]CC(5) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=CC[CH]C(69) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C=CCC(71) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCC=C(72) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C=[C]CCC(73) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC(5) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH]=CCCC(74) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CCCC(12) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]CCC(11) <=> C=CC(18) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCC(12) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCC(11) <=> CCC(156) + C=CCCC(17) origin: Disproportionation
rxn: CCCOO(159) + C=CC[CH]C(69) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO[O](154) + C=CCCC(17) <=> CCCOO(159) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC=C(72) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + C=[C]CCC(73) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: CCCOO(159) + [CH]=CCCC(74) <=> CCCO[O](154) + C=CCCC(17) origin: H_Abstraction
rxn: [O]O(13) + C[CH]C(144) <=> OO(23) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + CCCCCO[O](61) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]CCOO(64) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCC[CH]COO(63) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CCCOO(65) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + CCCC[CH]OO(84) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCCCOO(66) <=> C=CC(18) + CCCCCOO(78) origin: Disproportionation
rxn: CCCOO(159) + CC[CH]CCOO(64) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCC[CH]COO(63) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + C[CH]CCCOO(65) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + CCCC[CH]OO(84) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCCOO(66) <=> CCCO[O](154) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH]C(144) + CCCC(C)OO(24) <=> CCC(156) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + CC=CC(C)OO(88) origin: Disproportionation
rxn: CCCO[O](154) + C[CH]CC(C)OO(34) <=> CCCOO(159) + C=CCC(C)OO(89) origin: Disproportionation
rxn: [CH2]C=C(67) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C=[C]C(171) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=CC(172) + CC(CC(C)OO)OO(98) <=> C=CC(18) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)OO(98) <=> CCC(156) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC[O](179) + CC([O])CC(C)OO(99) origin: Peroxyl_Disproportionation
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCO(164) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCC=O(180) + CC(O)CC(C)OO(101) origin: Peroxyl_Termination
rxn: O(42) + C=CC(18) <=> CCCO(164) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CC(18) <=> CC(C)O(182) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]C(144) <=> O(42) + C=CC(18) origin: Disproportionation
rxn: [CH2]CC(5) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC(=O)CC(C)O[O](110) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)=O)OO(113) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])=CC(C)OO(115) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)=O)OO(116) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C=C([O])CC(C)OO(118) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + C[C](O)CC(C)OO(133) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C=C(67) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]C(171) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CC(172) + CC([O])CC(C)OO(99) <=> C=CC(18) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](O)CC(C)OO(133) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]C(144) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC(5) + CC([O])CC(C)OO(99) <=> CCC(156) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCOO(159) + CC(=O)CC(C)O[O](110) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C[C](CC(C)=O)OO(113) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCO[O](154) + CC(=O)CC(C)OO(95) <=> CCCOO(159) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)=O)OO(116) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: CCCOO(159) + C=C([O])CC(C)OO(118) <=> CCCO[O](154) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH]C(144) + CC(CC(C)OO)O[O](91) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + C[C](CC(C)OO)OO(123) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + CC([CH]C(C)OO)OO(96) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]C(CC(C)OO)OO(97) <=> C=CC(18) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCCOO(159) + C[C](CC(C)OO)OO(123) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + CC([CH]C(C)OO)OO(96) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]C(CC(C)OO)OO(97) <=> CCCO[O](154) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: [CH2]CC(5) + CCC(156) <=> C[CH]C(144) + CCC(156) origin: H_Abstraction
rxn: CC=O(126) + C=CC(18) <=> CC1COC1C(183) origin: 2+2_cycloaddition
rxn: CC=O(126) + C=CC(18) <=> CC1CC(C)O1(87) origin: 2+2_cycloaddition
rxn: C=C[O](148) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=C[O](148) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CC(5) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]C(144) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH2]C=C(67) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + C=[C]C(171) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: CC[O](158) + [CH]=CC(172) <=> CC=O(126) + C=CC(18) origin: Disproportionation
rxn: C=COC(C)C(184) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=COCCC(185) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C=CCOCC(186) <=> CC=O(126) + C=CC(18) origin: Retroene
rxn: C[CH]O(157) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + C[CH]C(144) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC(5) <=> CC=O(126) + CCC(156) origin: Disproportionation
rxn: C=C[O](148) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: C[C]=O(114) + CCCOO(159) <=> CC=O(126) + CCCO[O](154) origin: H_Abstraction
rxn: CC=O(126) + CCCO[O](154) <=> C[CH]OOOCCC(187) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCCO[O](154) <=> CCCOOC(C)[O](188) origin: R_Addition_MultipleBond
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> C[CH]C(144) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCC(156) + [CH2]CCC(C)O(132) <=> [CH2]CC(5) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]C=C(67) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH2]C=C(67) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C=[C]C(171) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + [CH2]CC(5) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: [CH]=CC(172) + C[CH]C(144) <=> C=CC(18) + C=CC(18) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]C(144) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CC(5) <=> C=CC(18) + CCC(156) origin: Disproportionation
rxn: [CH2]C=C(67) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C=[C]C(171) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCOO(159) <=> C=CC(18) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH]C(144) + CCCOO(159) <=> CCCO[O](154) + CCC(156) origin: H_Abstraction
rxn: CCCO[O](154) + CCCO[O](154) <=> oxygen(1) + CCC=O(180) + CCCO(164) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCOO[O](189) <=> oxygen(1) + [O]O(13) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCC(C)OO[O](48) <=> oxygen(1) + CCCO[O](154) + CCCC(C)O[O](20) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCC(CC)OO[O](49) <=> oxygen(1) + CCCO[O](154) + CCC(CC)O[O](22) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCCCOO[O](139) <=> oxygen(1) + CCCO[O](154) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CCCOO[O](189) <=> oxygen(1) + CCCO[O](154) + CCCO[O](154) origin: Peroxyl_Disproportionation
rxn: CCCOO(159) + CCCC(C)OOO(135) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCC(C)OO(24) <=> O(42) + CCCO[O](154) + CCCC(C)O[O](20) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCC(CC)OOO(142) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC(CC)O[O](22) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCCCOOO(143) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCCO[O](61) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOOO(190) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC(CC(C)OO)O[O](91) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CCCOOO(190) <=> O(42) + CCCO[O](154) + CCCO[O](154) origin: Bimolec_Hydroperoxide_Decomposition
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CC[O](158) <=> CCC[O](179) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCC=O(180) <=> CCC[O](179) origin: R_Addition_MultipleBond
rxn: CCC[O](179) <=> CC[CH]O(192) origin: intra_H_migration
rxn: C[CH]CO(193) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2]CCO(194) <=> CCC[O](179) origin: intra_H_migration
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [CH2](3) + CCOO(195) <=> CCCOO(159) origin: 1,2_Insertion_carbene
rxn: [H](8) + CCCO[O](154) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2]OO(82) + C[CH2](6) <=> CCCOO(159) origin: R_Recombination
rxn: [CH3](10) + [CH2]COO(80) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + C[CH]COO(176) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + CC[CH]OO(58) <=> CCCOO(159) origin: R_Recombination
rxn: [H](8) + [CH2]CCOO(81) <=> CCCOO(159) origin: R_Recombination
rxn: [CH2](3) + C=CCCO(196) <=> C=CCC(C)O(152) origin: 1,2_Insertion_carbene
rxn: O(42) + C=CC=CC(197) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC=C(198) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: C=CO(146) + C=CC(18) <=> C=CCC(C)O(152) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C=CC[CH]C(69) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CCC(C)[O](199) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C[CH]O(157) + [CH2]C=C(67) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH3](10) + C=CC[CH]O(200) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=CC[C](C)O(201) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [CH]=C(70) + [CH2]C(C)O(153) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=C[CH]C(C)O(202) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH2]C(O)CC=C(203) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + C=[C]CC(C)O(204) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: [H](8) + [CH]=CCC(C)O(205) <=> C=CCC(C)O(152) origin: R_Recombination
rxn: C=CCC(C)O(152) <=> C=CO(146) + C=CC(18) origin: Retroene
rxn: C[C]CC(C)O(206) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: [CH]CCC(C)O(207) <=> C=CCC(C)O(152) origin: Singlet_Carbene_Intra_Disproportionation
rxn: oxygen(1) + CCC[O](179) <=> CCCOO[O](189) origin: R_Recombination
rxn: [O]O(13) + C[CH]COO(176) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]OO(58) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CCOO(81) <=> oxygen(1) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC[O](179) + pentane(2) <=> CCCO(164) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CC[CH]CC(7) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: C[CH]CCC(11) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: [CH2]CCCC(12) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + pentane(2) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCC(11) <=> CCCO(164) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: CC[CH]OO(58) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + C[CH]CCC(11) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> oxygen(1) + CCCO(164) origin: H_Abstraction
rxn: [O]O(13) + CCC[O](179) <=> CCCOOO(190) origin: R_Recombination
rxn: OO(23) + C[CH]COO(176) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: [O]O(13) + CCCOO(159) <=> OO(23) + CC[CH]OO(58) origin: H_Abstraction
rxn: OO(23) + [CH2]CCOO(81) <=> [O]O(13) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CC[CH]CC(7) <=> CCCO(164) + CC=CCC(16) origin: Disproportionation
rxn: C[CH]COO(176) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCCOO(159) + CC[CH]CC(7) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C[CH]COO(176) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(CC)OO(27) <=> CCCOO(159) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> C[CH]COO(176) + pentane(2) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCCC(12) <=> CC[CH]OO(58) + pentane(2) origin: H_Abstraction
rxn: [CH2]CCOO(81) + pentane(2) <=> CCCOO(159) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]C(CCC)OO(33) origin: H_Abstraction
rxn: CCC[O](179) + CCCC(C)OO(24) <=> CCCO(164) + [CH2]CCC(C)OO(35) origin: H_Abstraction
rxn: C[CH]CC(C)O(131) + CCCC(C)O[O](20) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[C](C)OO(55) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]C(C)OO(32) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CC(C)OO(34) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CCC)OO(33) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCC(C)OO(35) <=> C=CCC(C)O(152) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: CCC[O](179) + CCC(CC)OO(27) <=> CCCO(164) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CCCOO(159) + CCC(CC)OO(27) <=> O(42) + CCCO[O](154) + CCC([O])CC(44) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCC(CC)O[O](22) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[C](CC)OO(59) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]C(CC)OO(37) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CC(CC)OO(38) <=> C=CCC(C)O(152) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[CH]COO(176) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCCCOO(78) <=> CCCOO(159) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]C=CCC(71) origin: H_Abstraction
rxn: CCC[O](179) + C=CCCC(17) <=> CCCO(164) + [CH2]CCC=C(72) origin: H_Abstraction
rxn: CCCO(164) + C=[C]CCC(73) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: CCCO(164) + [CH]=CCCC(74) <=> CCC[O](179) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH]COO(176) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + [CH2]CCCC(12) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C[CH]COO(176) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]OO(58) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[CH]CCC(11) <=> CCCOO(159) + C=CCCC(17) origin: Disproportionation
rxn: C=CC[CH]C(69) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[CH]C(69) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C=CCC(71) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CCC=C(72) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CCC(73) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + [CH2]CCC(C)O(132) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCCC(74) + C[CH]CC(C)O(131) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + [CH2]CCCC(12) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[CH]CCC(11) <=> C=CCCC(17) + C=CCC(C)O(152) origin: Disproportionation
rxn: [O]O(13) + CCCO(164) <=> OO(23) + CCC[O](179) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCCCO[O](61) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCC[CH]COO(63) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CCC[O](179) + CCCCCOO(78) <=> CCCO(164) + [CH2]CCCCOO(66) origin: H_Abstraction
rxn: CCCOO(159) + CCCCCOO(78) <=> O(42) + CCCO[O](154) + CCCCC[O](79) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CCCCCO[O](61) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC[CH]CCOO(64) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCC[CH]COO(63) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[CH]CCCOO(65) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CCCC[CH]OO(84) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]CCCCOO(66) <=> C=CCC(C)O(152) + CCCCCOO(78) origin: Disproportionation
rxn: C=CC(18) + C[CH]CC(C)OO(34) <=> [CH2]C=C(67) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C=[C]C(171) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCC(C)OO(24) <=> C=CC(18) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)OO(24) <=> CCCOO(159) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: C[CH]COO(176) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[CH]OO(58) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CC(CC(C)OO)OO(98) <=> CCCOO(159) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [OH](25) + CCCO(164) <=> O(42) + CCC[O](179) origin: H_Abstraction
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CCCO(208) origin: 1,3_Insertion_ROR
rxn: O(42) + C=CCC(C)O(152) <=> CC(O)CC(C)O(209) origin: 1,3_Insertion_ROR
rxn: [OH](25) + C[CH]CC(C)O(131) <=> O(42) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC(=O)CC(C)O[O](110) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + [CH2]C(CC(C)=O)OO(116) origin: H_Abstraction
rxn: CCC[O](179) + CC(=O)CC(C)OO(95) <=> CCCO(164) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCC[O](179) + CC(=O)CC(C)O[O](110) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCOO(159) + CC(=O)CC(C)OO(95) <=> O(42) + CCCO[O](154) + CC(=O)CC(C)[O](108) origin: Bimolec_Hydroperoxide_Decomposition
rxn: CCCO[O](154) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + C[C](O)CC(C)OO(133) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCCO[O](154) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[CH]COO(176) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]OO(58) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CCOO(81) + CC([O])CC(C)OO(99) <=> CCCOO(159) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(=O)CC(C)O[O](110) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[C](CC(C)=O)OO(113) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC([O])=CC(C)OO(115) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(CC(C)=O)OO(116) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + [CH2]CCC(C)O(132) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C([O])CC(C)OO(118) + C[CH]CC(C)O(131) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + C[C](O)CC(C)OO(133) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CCC(C)[O](199) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=CC[C](C)O(201) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=C[CH]C(C)O(202) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]C(O)CC=C(203) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C=[C]CC(C)O(204) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=CCC(C)O(205) + CC([O])CC(C)OO(99) <=> C=CCC(C)O(152) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CCC[O](179) + CC(CC(C)OO)OO(98) <=> CCCO(164) + [CH2]C(CC(C)OO)OO(97) origin: H_Abstraction
rxn: CCCOO(159) + CC(CC(C)OO)OO(98) <=> O(42) + CCCO[O](154) + CC([O])CC(C)OO(99) origin: Bimolec_Hydroperoxide_Decomposition
rxn: C[CH]CC(C)O(131) + CC(CC(C)OO)O[O](91) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + C[C](CC(C)OO)OO(123) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + CC([CH]C(C)OO)OO(96) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CCC(C)O(132) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[CH]CC(C)O(131) + [CH2]C(CC(C)OO)OO(97) <=> C=CCC(C)O(152) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]CC(5) + CCCOO(159) <=> C[CH]COO(176) + CCC(156) origin: H_Abstraction
rxn: [CH2]CC(5) + CCCOO(159) <=> CC[CH]OO(58) + CCC(156) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCC(156) <=> [CH2]CC(5) + CCCOO(159) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C=C[O](148) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[C]=O(114) + CCCO(164) origin: H_Abstraction
rxn: CC=O(126) + CCC[O](179) <=> C[CH]OOCCC(210) origin: R_Addition_MultipleBond
rxn: CC=O(126) + CCC[O](179) <=> CCCOC(C)[O](211) origin: R_Addition_MultipleBond
rxn: C[CH]O(157) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CCCO[O](154) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + C[CH]COO(176) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + CC[CH]OO(58) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: CC[O](158) + [CH2]CCOO(81) <=> CC=O(126) + CCCOO(159) origin: Disproportionation
rxn: C=C[O](148) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C=C[O](148) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + [CH2]CCC(C)O(132) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[C]=O(114) + C[CH]CC(C)O(131) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]O(157) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CCC(C)[O](199) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=CC[C](C)O(201) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=C[CH]C(C)O(202) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH2]C(O)CC=C(203) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + C=[C]CC(C)O(204) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CC[O](158) + [CH]=CCC(C)O(205) <=> CC=O(126) + C=CCC(C)O(152) origin: Disproportionation
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CCCO[O](154) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> C[CH]COO(176) + CCCC(C)O(46) origin: H_Abstraction
rxn: CCCOO(159) + [CH2]CCC(C)O(132) <=> CC[CH]OO(58) + CCCC(C)O(46) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCC(C)O(46) <=> CCCOO(159) + [CH2]CCC(C)O(132) origin: H_Abstraction
rxn: C=CC(18) + CCC[O](179) <=> [CH2]C=C(67) + CCCO(164) origin: H_Abstraction
rxn: C=[C]C(171) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH]=CC(172) + CCCO(164) <=> C=CC(18) + CCC[O](179) origin: H_Abstraction
rxn: [CH2]CC(5) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: [CH2]CC(5) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO[O](154) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]COO(176) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CC[CH]OO(58) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + [CH2]CCOO(81) <=> C=CC(18) + CCCOO(159) origin: Disproportionation
rxn: C[CH]C(144) + CCCO(164) <=> CCC[O](179) + CCC(156) origin: H_Abstraction
rxn: CCC[O](179) + CCC(156) <=> [CH2]CC(5) + CCCO(164) origin: H_Abstraction
rxn: C[CH]C(144) + [CH2]CCC(C)O(132) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]C(144) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: [CH2]CC(5) + C[CH]CC(C)O(131) <=> CCC(156) + C=CCC(C)O(152) origin: Disproportionation
rxn: C[CH]COO(176) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CC[CH]OO(58) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: [CH2]CCOO(81) + CCCOO(159) <=> CCCO[O](154) + CCCOO(159) origin: H_Abstraction
rxn: CCC[O](179) + CCC[O](179) <=> CCC=O(180) + CCCO(164) origin: Disproportionation
rxn: CCC[O](179) + CCCOO(159) <=> CCCO[O](154) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> C[CH]COO(176) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> CC[CH]OO(58) + CCCO(164) origin: H_Abstraction
rxn: CCC[O](179) + CCCOO(159) <=> [CH2]CCOO(81) + CCCO(164) origin: H_Abstraction
rxn: CCCC(C)OO[O](48) + CCCCCOO[O](139) <=> oxygen(1) + CCCC(C)O[O](20) + CCCCCO[O](61) origin: Peroxyl_Disproportionation
rxn: CCCOO[O](189) + CC(CC(C)OO)O[O](91) <=> oxygen(1) + CCCOO(159) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCO[O](170) + CCCOO[O](189) <=> oxygen(1) + CC=O(126) + CCCOO(159) origin: Peroxyl_Termination
rxn: [C-]#[O+](102) + CC(175) <=> CCC=O(180) origin: 1,2_Insertion_CO
rxn: [CH2](3) + CC=O(126) <=> CCC=O(180) origin: 1,2_Insertion_carbene
rxn: C=COC(212) <=> CCC=O(180) origin: 1,3_sigmatropic_rearrangement
rxn: CC=CO(213) <=> CCC=O(180) origin: Ketoenol
rxn: [CH3](10) + C=C[O](148) <=> CCC=O(180) origin: R_Recombination
rxn: [CH]=O(147) + C[CH2](6) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC=C[O](214) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + [CH2]CC=O(215) <=> CCC=O(180) origin: R_Recombination
rxn: [H](8) + CC[C]=O(216) <=> CCC=O(180) origin: R_Recombination
rxn: [H][H](217) + [C-]#[O+](102) <=> C=O(191) origin: 1,2_Insertion_CO
rxn: [H](8) + [CH]=O(147) <=> C=O(191) origin: R_Recombination
rxn: [H](8) + C=C(50) <=> C[CH2](6) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CC=C[O](214) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + [CH2]CC=O(215) <=> oxygen(1) + CCC=O(180) origin: H_Abstraction
rxn: oxygen(1) + CCC=O(180) <=> [O]O(13) + CC[C]=O(216) origin: H_Abstraction
rxn: oxygen(1) + C=O(191) <=> [O]O(13) + [CH]=O(147) origin: H_Abstraction
rxn: oxygen(1) + C[CH2](6) <=> [O]O(13) + C=C(50) origin: Disproportionation
rxn: CCO[O](170) <=> oxygen(1) + C[CH2](6) origin: R_Recombination
rxn: CC[CH]O(192) + CC[CH]CC(7) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCC(11) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCC(12) <=> CCC=O(180) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + CC[CH]CC(7) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + C[CH]CCC(11) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCC(12) <=> C=O(191) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + pentane(2) <=> CC(175) + CC[CH]CC(7) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + C[CH]CCC(11) origin: H_Abstraction
rxn: C[CH2](6) + pentane(2) <=> CC(175) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + C[CH]CCC(11) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CCC(11) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + C[CH]CCC(11) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CCC(11) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CCC(11) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: oxygen(1) + CC[CH]O(192) <=> [O]O(13) + CCC=O(180) origin: Disproportionation
rxn: CCC(O)O[O](220) <=> [O]O(13) + CCC=O(180) origin: HO2_Elimination_from_PeroxyRadical
rxn: OO(23) + CC=C[O](214) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + [CH2]CC=O(215) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: OO(23) + CC[C]=O(216) <=> [O]O(13) + CCC=O(180) origin: H_Abstraction
rxn: [O]O(13) + CCC=O(180) <=> CC[CH]OOO(221) origin: R_Addition_MultipleBond
rxn: [O]O(13) + CCC=O(180) <=> CCC([O])OO(222) origin: R_Addition_MultipleBond
rxn: oxygen(1) + [CH2]O(218) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: oxygen(1) + C[O](219) <=> [O]O(13) + C=O(191) origin: Disproportionation
rxn: [O]OCO(223) <=> [O]O(13) + C=O(191) origin: HO2_Elimination_from_PeroxyRadical
rxn: [O]O(13) + C=O(191) <=> OO(23) + [CH]=O(147) origin: H_Abstraction
rxn: [O]O(13) + C=O(191) <=> [CH2]OOO(224) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C=O(191) <=> [O]COO(225) origin: R_Addition_MultipleBond
rxn: [O]O(13) + C[CH2](6) <=> OO(23) + C=C(50) origin: Disproportionation
rxn: oxygen(1) + CC(175) <=> [O]O(13) + C[CH2](6) origin: H_Abstraction
rxn: [O]O(13) + C[CH2](6) <=> CCOO(195) origin: R_Recombination
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + CC[CH]CC(7) origin: H_Abstraction
rxn: CCC=O(180) + CC[CH]CC(7) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + CC[CH]CC(7) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + CC[CH]CC(7) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + CC[CH]CC(7) <=> CC(175) + CC=CCC(16) origin: Disproportionation
rxn: CC=C[O](214) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCC(C)OO(24) <=> CCC=O(180) + CCCC(C)O[O](20) origin: H_Abstraction
rxn: C=O(191) + CCCC(C)O[O](20) <=> [CH]=O(147) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)O[O](20) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC=C[O](214) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: CC[C]=O(216) + CCC(CC)OO(27) <=> CCC=O(180) + CCC(CC)O[O](22) origin: H_Abstraction
rxn: C=O(191) + CCC(CC)O[O](22) <=> [CH]=O(147) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)O[O](22) <=> C=C(50) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC=C[O](214) + pentane(2) origin: H_Abstraction
rxn: [CH2]CC=O(215) + pentane(2) <=> CCC=O(180) + [CH2]CCCC(12) origin: H_Abstraction
rxn: CCC=O(180) + [CH2]CCCC(12) <=> CC[C]=O(216) + pentane(2) origin: H_Abstraction
rxn: C=O(191) + [CH2]CCCC(12) <=> [CH]=O(147) + pentane(2) origin: H_Abstraction
rxn: C[CH2](6) + [CH2]CCCC(12) <=> C=C(50) + pentane(2) origin: Disproportionation
rxn: C[CH2](6) + [CH2]CCCC(12) <=> CC(175) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC(C)O[O](20) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CCC[C](C)OO(55) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]C(C)OO(32) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CC(C)OO(34) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CCC)OO(33) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC(C)OO(35) <=> CCC=O(180) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCCC(C)O[O](20) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CCC[C](C)OO(55) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + CC[CH]C(C)OO(32) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + C[CH]CC(C)OO(34) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CCC)OO(33) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC(C)OO(35) <=> C=O(191) + CCCC(C)OO(24) origin: Disproportionation
rxn: CC(175) + CCCC(C)O[O](20) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CCC[C](C)OO(55) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + CC[CH]C(C)OO(32) origin: H_Abstraction
rxn: C[CH2](6) + CCCC(C)OO(24) <=> CC(175) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CCC)OO(33) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC(C)OO(35) <=> C[CH2](6) + CCCC(C)OO(24) origin: H_Abstraction
rxn: CC[CH]O(192) + CCC(CC)O[O](22) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + CC[C](CC)OO(59) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + C[CH]C(CC)OO(37) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CC(CC)OO(38) <=> CCC=O(180) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CCC(CC)O[O](22) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + CC[C](CC)OO(59) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + C[CH]C(CC)OO(37) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(CC)OO(38) <=> C=O(191) + CCC(CC)OO(27) origin: Disproportionation
rxn: CC(175) + CCC(CC)O[O](22) <=> C[CH2](6) + CCC(CC)OO(27) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + CC[C](CC)OO(59) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + C[CH]C(CC)OO(37) origin: H_Abstraction
rxn: C[CH2](6) + CCC(CC)OO(27) <=> CC(175) + [CH2]CC(CC)OO(38) origin: H_Abstraction
rxn: CC=C[O](214) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCCCOO(78) <=> CCC=O(180) + CCCCCO[O](61) origin: H_Abstraction
rxn: C=O(191) + CCCCCO[O](61) <=> [CH]=O(147) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCO[O](61) <=> C=C(50) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=CC[CH]C(69) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C=CCC(71) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCC=C(72) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + C=[C]CCC(73) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[CH]O(192) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CCC[O](179) + [CH]=CCCC(74) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CCCC(12) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]CCC(11) <=> CCC=O(180) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=CC[CH]C(69) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]C=CCC(71) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH2]CCC=C(72) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + C=[C]CCC(73) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[O](219) + [CH]=CCCC(74) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CCCC(12) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]CCC(11) <=> C=O(191) + C=CCCC(17) origin: Disproportionation
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=CC[CH]C(69) origin: H_Abstraction
rxn: CC(175) + [CH2]C=CCC(71) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: CC(175) + [CH2]CCC=C(72) <=> C[CH2](6) + C=CCCC(17) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + C=[C]CCC(73) origin: H_Abstraction
rxn: C[CH2](6) + C=CCCC(17) <=> CC(175) + [CH]=CCCC(74) origin: H_Abstraction
rxn: [O]O(13) + CC[CH]O(192) <=> OO(23) + CCC=O(180) origin: Disproportionation
rxn: [O]O(13) + [CH2]O(218) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + C[O](219) <=> OO(23) + C=O(191) origin: Disproportionation
rxn: [O]O(13) + CC(175) <=> OO(23) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CCCCCO[O](61) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]CCOO(64) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCC[CH]COO(63) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + C[CH]CCCOO(65) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + CCCC[CH]OO(84) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCCCOO(66) <=> CCC=O(180) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCCCO[O](61) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CC[CH]CCOO(64) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCC[CH]COO(63) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + C[CH]CCCOO(65) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + CCCC[CH]OO(84) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: C[O](219) + [CH2]CCCCOO(66) <=> C=O(191) + CCCCCOO(78) origin: Disproportionation
rxn: CC(175) + CCCCCO[O](61) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CC[CH]CCOO(64) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCC[CH]COO(63) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + C[CH]CCCOO(65) origin: H_Abstraction
rxn: C[CH2](6) + CCCCCOO(78) <=> CC(175) + CCCC[CH]OO(84) origin: H_Abstraction
rxn: CC(175) + [CH2]CCCCOO(66) <=> C[CH2](6) + CCCCCOO(78) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC=C[O](214) + CCCC(C)OO(24) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCC(C)OO(24) <=> CCC=O(180) + C[CH]CC(C)OO(34) origin: H_Abstraction
rxn: CCC=O(180) + C[CH]CC(C)OO(34) <=> CC[C]=O(216) + CCCC(C)OO(24) origin: H_Abstraction
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> C=C(50) + CCCC(C)OO(24) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + CC=CC(C)OO(88) origin: Disproportionation
rxn: C[CH2](6) + C[CH]CC(C)OO(34) <=> CC(175) + C=CCC(C)OO(89) origin: Disproportionation
rxn: CC=C[O](214) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: CC[C]=O(216) + CC(CC(C)OO)OO(98) <=> CCC=O(180) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: [CH]=O(147) + CC(CC(C)OO)OO(98) <=> C=O(191) + CC(CC(C)OO)O[O](91) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)O[O](91) <=> C=C(50) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [OH](25) + CC[CH]O(192) <=> O(42) + CCC=O(180) origin: Disproportionation
rxn: [OH](25) + [CH2]O(218) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + C[O](219) <=> O(42) + C=O(191) origin: Disproportionation
rxn: [OH](25) + CC(175) <=> O(42) + C[CH2](6) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC(=O)CC(C)O[O](110) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)=O)OO(113) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + CC([O])=CC(C)OO(115) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)=O)OO(116) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[CH]O(192) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CCC[O](179) + C=C([O])CC(C)OO(118) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + C[C](O)CC(C)OO(133) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC=C[O](214) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC[C]=O(216) + CC([O])CC(C)OO(99) <=> CCC=O(180) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC(=O)CC(C)O[O](110) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)=O)OO(113) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + CC([O])=CC(C)OO(115) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)=O)OO(116) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH2]O(218) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: C[O](219) + C=C([O])CC(C)OO(118) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + C[C](O)CC(C)OO(133) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: [CH]=O(147) + CC([O])CC(C)OO(99) <=> C=O(191) + CC(=O)CC(C)OO(95) origin: Disproportionation
rxn: CC(175) + CC(=O)CC(C)O[O](110) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C[C](CC(C)=O)OO(113) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + CC([O])=CC(C)OO(115) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)=O)OO(116) <=> C[CH2](6) + CC(=O)CC(C)OO(95) origin: H_Abstraction
rxn: C[CH2](6) + CC(=O)CC(C)OO(95) <=> CC(175) + C=C([O])CC(C)OO(118) origin: H_Abstraction
rxn: CC[CH]O(192) + CC(CC(C)OO)O[O](91) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + C[C](CC(C)OO)OO(123) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + CC([CH]C(C)OO)OO(96) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CCC[O](179) + [CH2]C(CC(C)OO)OO(97) <=> CCC=O(180) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC(CC(C)OO)O[O](91) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + C[C](CC(C)OO)OO(123) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + CC([CH]C(C)OO)OO(96) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: C[O](219) + [CH2]C(CC(C)OO)OO(97) <=> C=O(191) + CC(CC(C)OO)OO(98) origin: Disproportionation
rxn: CC(175) + CC(CC(C)OO)O[O](91) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + C[C](CC(C)OO)OO(123) origin: H_Abstraction
rxn: C[CH2](6) + CC(CC(C)OO)OO(98) <=> CC(175) + CC([CH]C(C)OO)OO(96) origin: H_Abstraction
rxn: CC(175) + [CH2]C(CC(C)OO)OO(97) <=> C[CH2](6) + CC(CC(C)OO)OO(98) origin: H_Abstraction
rxn: CC=O(126) + CCC=O(180) <=> CCC1OOC1C(226) origin: 2+2_cycloaddition
rxn: C=C[O](148) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=C[O](148) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CC[CH]O(192) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[C]=O(114) + CCC[O](179) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C[CH]O(157) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC=C[O](214) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + [CH2]CC=O(215) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: CC[O](158) + CC[C]=O(216) <=> CC=O(126) + CCC=O(180) origin: Disproportionation
rxn: C=COOCCC(227) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=COC(O)CC(228) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COOCC(229) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: CC=COC(C)O(230) <=> CC=O(126) + CCC=O(180) origin: Retroene
rxn: C=O(191) + CC=O(126) <=> CC1COO1(231) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C=C[O](148) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH2]O(218) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C[O](219) + C[C]=O(114) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]O(157) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: [CH]=O(147) + CC[O](158) <=> C=O(191) + CC=O(126) origin: Disproportionation
rxn: C=COOC(232) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: C=COCO(233) <=> C=O(191) + CC=O(126) origin: Retroene
rxn: CC=O(126) + C[CH2](6) <=> C=C[O](148) + CC(175) origin: H_Abstraction
rxn: C[C]=O(114) + CC(175) <=> CC=O(126) + C[CH2](6) origin: H_Abstraction
rxn: CC=O(126) + C[CH2](6) <=> C[CH]OCC(234) origin: R_Addition_MultipleBond
rxn: CC=O(126) + C[CH2](6) <=> CCC(C)[O](125) origin: R_Addition_MultipleBond
rxn: [CH2]C=C(67) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]C=C(67) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=[C]C(171) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CC[CH]O(192) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH]=CC(172) + CCC[O](179) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + [CH2]CC(5) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + C[CH]C(144) <=> C=CC(18) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + C=CC(18) <=> CC1CCO1(235) origin: 2+2_cycloaddition
rxn: C=O(191) + C=CC(18) <=> CC1COC1(236) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH2]C=C(67) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + C=[C]C(171) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH2]O(218) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C[O](219) + [CH]=CC(172) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + [CH2]CC(5) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: [CH]=O(147) + C[CH]C(144) <=> C=O(191) + C=CC(18) origin: Disproportionation
rxn: C=CCOC(237) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: C=CCCO(196) <=> C=O(191) + C=CC(18) origin: Retroene
rxn: CC(175) + [CH2]C=C(67) <=> C[CH2](6) + C=CC(18) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + C=[C]C(171) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> CC(175) + [CH]=CC(172) origin: H_Abstraction
rxn: C[CH2](6) + C=CC(18) <=> [CH2]C(C)CC(15) origin: R_Addition_MultipleBond
rxn: C[CH]C(144) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: C[CH]C(144) + CCC[O](179) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]CC(5) + CC[CH]O(192) <=> CCC=O(180) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + C[CH]C(144) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: C[O](219) + [CH2]CC(5) <=> C=O(191) + CCC(156) origin: Disproportionation
rxn: CC(175) + C[CH]C(144) <=> C[CH2](6) + CCC(156) origin: H_Abstraction
rxn: C[CH2](6) + CCC(156) <=> CC(175) + [CH2]CC(5) origin: H_Abstraction
rxn: CC=C[O](214) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: [CH2]CC=O(215) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: CC[C]=O(216) + CCCOO(159) <=> CCC=O(180) + CCCO[O](154) origin: H_Abstraction
rxn: C[CH2](6) + CCCO[O](154) <=> C=C(50) + CCCOO(159) origin: Disproportionation
rxn: C[CH2](6) + CCCO[O](154) <=> CCCOOCC(238) origin: R_Recombination
rxn: CC[CH]O(192) + CCCO[O](154) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + C[CH]COO(176) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + CC[CH]OO(58) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CC[CH]O(192) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: CCC[O](179) + [CH2]CCOO(81) <=> CCC=O(180) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CCCO[O](154) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + C[CH]COO(176) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + CC[CH]OO(58) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: C[O](219) + [CH2]CCOO(81) <=> C=O(191) + CCCOO(159) origin: Disproportionation
rxn: CC(175) + CCCO[O](154) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + C[CH]COO(176) origin: H_Abstraction
rxn: C[CH2](6) + CCCOO(159) <=> CC(175) + CC[CH]OO(58) origin: H_Abstraction
rxn: CC(175) + [CH2]CCOO(81) <=> C[CH2](6) + CCCOO(159) origin: H_Abstraction
rxn: CC=C[O](214) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC=C[O](214) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: [CH2]CC=O(215) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CC[CH]O(192) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: CC[C]=O(216) + CCC[O](179) <=> CCC=O(180) + CCC=O(180) origin: Disproportionation
rxn: C=O(191) + CCC=O(180) <=> CCC1COO1(239) origin: 2+2_cycloaddition
rxn: [CH2]O(218) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC=C[O](214) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + [CH2]CC=O(215) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH2]O(218) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: C[O](219) + CC[C]=O(216) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CC[CH]O(192) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: [CH]=O(147) + CCC[O](179) <=> C=O(191) + CCC=O(180) origin: Disproportionation
rxn: CC=COOC(240) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: CC=COCO(241) <=> C=O(191) + CCC=O(180) origin: Retroene
rxn: C[CH2](6) + CCC=O(180) <=> CC(175) + CC=C[O](214) origin: H_Abstraction
rxn: CC(175) + [CH2]CC=O(215) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: CC(175) + CC[C]=O(216) <=> C[CH2](6) + CCC=O(180) origin: H_Abstraction
rxn: C[CH2](6) + CCC=O(180) <=> CC[CH]OCC(242) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + CCC=O(180) <=> CCC([O])CC(44) origin: R_Addition_MultipleBond
rxn: C=O(191) + C=O(191) <=> C1COO1(243) origin: 2+2_cycloaddition
rxn: [CH]=O(147) + [CH2]O(218) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + C[O](219) <=> C=O(191) + C=O(191) origin: Disproportionation
rxn: [CH]=O(147) + CC(175) <=> C=O(191) + C[CH2](6) origin: H_Abstraction
rxn: C=O(191) + C[CH2](6) <=> [CH2]OCC(244) origin: R_Addition_MultipleBond
rxn: C[CH2](6) + C[CH2](6) <=> C=C(50) + CC(175) origin: Disproportionation
rxn: C[CH2](6) + C[CH2](6) <=> CCCC(4) origin: R_Recombination
rxn: CCCO[O](154) + CCCC(C)OO[O](48) <=> oxygen(1) + CCC=O(180) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCC(C)OO[O](48) <=> oxygen(1) + C=O(191) + CCCC(C)OO(24) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCC(CC)OO[O](49) <=> oxygen(1) + CCC=O(180) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: CO[O](245) + CCC(CC)OO[O](49) <=> oxygen(1) + C=O(191) + CCC(CC)OO(27) origin: Peroxyl_Termination
rxn: [O]OO(138) + CCCO[O](154) <=> oxygen(1) + OO(23) + CCC=O(180) origin: Peroxyl_Termination
rxn: [O]OO(138) + CO[O](245) <=> oxygen(1) + OO(23) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCCCOO[O](139) <=> oxygen(1) + CCC=O(180) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCCCOO[O](139) <=> oxygen(1) + C=O(191) + CCCCCOO(78) origin: Peroxyl_Termination
rxn: [O]O(13) + CO[O](245) <=> oxygen(1) + O(42) + C=O(191) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + CCC=O(180) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CO[O](245) + CC(=O)CC(C)OO[O](140) <=> oxygen(1) + C=O(191) + CC(=O)CC(C)OO(95) origin: Peroxyl_Termination
rxn: CCCO[O](154) + CCCOO[O](189) <=> oxygen(1) + CCC=O(180) + CCCOO(159) origin: Peroxyl_Termination
rxn: CO[O](245) + CCCOO[O](189) <=> oxygen(1) + C=O(191) + CCCOO(159) origin: Peroxyl_Termination

Details

Observables Test Case: RMS_CSTR_liquid_oxidation Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_CSTR_liquid_oxidation Passed Observable Testing ✅

Regression test fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:42
Current: Execution time (DD:HH:MM:SS): 00:00:00:30
Reference: Memory used: 2656.81 MB
Current: Memory used: 2090.89 MB

fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

fragment Passed Edge Comparison ✅

Original model has 33 species.
Test model has 33 species. ✅
Original model has 47 reactions.
Test model has 47 reactions. ✅

Details

Observables Test Case: fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test RMS_constantVIdealGasReactor_fragment:

Reference: Execution time (DD:HH:MM:SS): 00:00:03:08
Current: Execution time (DD:HH:MM:SS): 00:00:01:45
Reference: Memory used: 3624.92 MB
Current: Memory used: 2485.00 MB

RMS_constantVIdealGasReactor_fragment Passed Core Comparison ✅

Original model has 10 species.
Test model has 10 species. ✅
Original model has 2 reactions.
Test model has 2 reactions. ✅

RMS_constantVIdealGasReactor_fragment Passed Edge Comparison ✅

Original model has 27 species.
Test model has 27 species. ✅
Original model has 24 reactions.
Test model has 24 reactions. ✅

Details

Observables Test Case: RMS_constantVIdealGasReactor_fragment Comparison

✅ All Observables varied by less than 0.100 on average between old model and new model in all conditions!

RMS_constantVIdealGasReactor_fragment Passed Observable Testing ✅

Errors occurred during observable testing ⚠️

WARNING:root:Initial mole fractions do not sum to one; normalizing.

Regression test minimal_surface:

Reference: Execution time (DD:HH:MM:SS): 00:00:00:45
Current: Execution time (DD:HH:MM:SS): 00:00:00:31
Reference: Memory used: 2840.60 MB
Current: Memory used: 2181.41 MB

minimal_surface Passed Core Comparison ✅

Original model has 11 species.
Test model has 11 species. ✅
Original model has 3 reactions.
Test model has 3 reactions. ✅

minimal_surface Passed Edge Comparison ✅

Original model has 38 species.
Test model has 38 species. ✅
Original model has 38 reactions.
Test model has 38 reactions. ✅

Details

Observables Test Case: minimal_surface Comparison

✅ All Observables varied by less than 0.500 on average between old model and new model in all conditions!

minimal_surface Passed Observable Testing ✅

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JacksonBurns · 2025-06-11T14:53:55Z

Thanks @rwest for the cleanup on the big Python PR

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rwest marked this pull request as ready for review June 2, 2025 20:17

rwest requested a review from JacksonBurns June 2, 2025 20:17

rwest added 4 commits June 2, 2025 22:17

Update how we clear log handlers in checkModels.py

f5357a1

There was a note about what we could do once we upgrade Python, which we now have.

Skip Julia imports in checkModels.py script

f7d93b6

They're not needed. Trying (and failing) to import them adds warnings to the stderr stream which ends up in the regression CI logs.

Makefile eg targets that don't use RMS skip Julia

235eb69

If these examples don't use RMS reactors, they can set the RMG_DISABLE_JULIA environment variable when calling RMG to disable it and speed things up.

rwest changed the title ~~Fix the CI summary logging of regression tests.~~ Fix the CI regression logging; make Julia optional via environment and module variables. Jun 3, 2025

sevyharris self-requested a review June 3, 2025 14:00

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sevyharris mentioned this pull request Jun 3, 2025

Fake PR to test CI regression fix: this branch should fail regression tests #2803

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rwest added 5 commits June 3, 2025 15:33

Add Makefile targets for RMS reactor examples.

210b999

make eg8 make eg9 make eg10 Now run examples with RMS reactors and Julia, should you want to test those.

Skip Julia imports in regression.py

9b7f256

This is to avoid the line WARNING:root:Julia import failed, RMS reactors not available. Exception: No module named 'juliacall' Stacktrace: showing up in the regression results. But it might speed things up a little too.

Update docker build github action versions.

2440e41

Small tweaks to CI

ed44569

rwest force-pushed the ci_regression branch from 1fdd6f5 to ed44569 Compare June 3, 2025 19:33

rwest enabled auto-merge June 3, 2025 19:44

sevyharris approved these changes Jun 3, 2025

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rwest merged commit d350c21 into main Jun 3, 2025
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rwest deleted the ci_regression branch June 3, 2025 21:08

rwest mentioned this pull request Jun 4, 2025

Lazy loading of Julia things #2804

Merged

JacksonBurns mentioned this pull request Jul 10, 2025

RMG-Py Version 3.3.0 #2826

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Motivation or Problem

Description of Changes

Testing

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github-actions bot commented Jun 2, 2025

Regression Testing Results

Regression test aromatics:

Regression test liquid_oxidation:

Regression test nitrogen:

Regression test oxidation:

Regression test sulfur:

Regression test superminimal:

Regression test RMS_constantVIdealGasReactor_superminimal:

Regression test RMS_CSTR_liquid_oxidation:

Regression test fragment:

Regression test RMS_constantVIdealGasReactor_fragment:

Regression test minimal_surface:

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Regression Testing Results

Regression test aromatics:

Regression test liquid_oxidation:

Regression test nitrogen:

Regression test oxidation:

Regression test sulfur:

Regression test superminimal:

Regression test RMS_constantVIdealGasReactor_superminimal:

Regression test RMS_CSTR_liquid_oxidation:

Regression test fragment:

Regression test RMS_constantVIdealGasReactor_fragment:

Regression test minimal_surface:

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github-actions bot commented Jun 3, 2025

Regression Testing Results

Regression test aromatics:

Regression test liquid_oxidation:

Regression test nitrogen:

Regression test oxidation:

Regression test sulfur:

Regression test superminimal:

Regression test RMS_constantVIdealGasReactor_superminimal:

Regression test RMS_CSTR_liquid_oxidation:

Regression test fragment:

Regression test RMS_constantVIdealGasReactor_fragment:

Regression test minimal_surface:

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Regression Testing Results

Regression test aromatics:

Regression test liquid_oxidation:

Regression test nitrogen:

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