EVODEX.1-P4127

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])=[C:4]([C:5]([O:6][H:24])([H:25])[H:26])[H:27])([H:28])([H:29])[H:30].[H][O:16][C:14]([C:13](=[C:12]([C:11]1:[C:10]([H:31]):[C:9]([O:8][C:7]([H:38])([H:39])[H:40]):[C:19]([O:20][H:37]):[C:18]([H:36]):[C:17]:1[H:35])[H:34])[H:33])=[O:15]>>[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])=[C:4]([C:5]([O:16][C:14]([C:13](=[C:12]([C:11]1:[C:10]([H:31]):[C:9]([O:8][C:7]([H:38])([H:39])[H:40]):[C:19]([O:20][H:37]):[C:18]([H:36]):[C:17]:1[H:35])[H:34])[H:33])=[O:15])([H:25])[H:26])[H:27])([H:28])([H:29])[H:30].[H][O:6][H:24]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E115 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#8:3]-[H:13])(-[H:14])-[H:15].[#6:5]-[#8:6]-[H]>>[#6:1]-[#6:2](-[#8:6]-[#6:5])(-[H:14])-[H:15].[#8:3](-[H:13])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N630 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:17]-[#6:18](-[#8:19]-[H:20])(-[H:21])-[H:22].[H]-[#8:16]-[#6:14]>>[#6:14]-[#8:16]-[#6:18](-[#6:17])(-[H:21])-[H:22].[H]-[#8:19]-[H:20]

EVODEX.1-Em599 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:17]-[#6:18]-[#8:19].[H]-[#8:16]-[#6:14]>>[#6:14]-[#8:16]-[#6:18]-[#6:17].[H]-[#8:19]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm535 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:17]-[#6:18]-[#8:19].[H]-[#8:16]-[#6:14]>>[#6:14]-[#8:16]-[#6:18]-[#6:17].[H]-[#8:19]

Source Full Reactions

EVODEX.1-R4967

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])=[C:4]([C:5]([O:6][H:24])([H:25])[H:26])[H:27])([H:28])([H:29])[H:30].[H][O:16][C:14]([C:13](=[C:12]([C:11]1:[C:10]([H:31]):[C:9]([O:8][C:7]([H:38])([H:39])[H:40]):[C:19]([O:20][H:37]):[C:18]([H:36]):[C:17]:1[H:35])[H:34])[H:33])=[O:15]>>[C:1]([C:2]([C:3]([H:21])([H:22])[H:23])=[C:4]([C:5]([O:16][C:14]([C:13](=[C:12]([C:11]1:[C:10]([H:31]):[C:9]([O:8][C:7]([H:38])([H:39])[H:40]):[C:19]([O:20][H:37]):[C:18]([H:36]):[C:17]:1[H:35])[H:34])[H:33])=[O:15])([H:25])[H:26])[H:27])([H:28])([H:29])[H:30].[H][O:6][H:24]