EVODEX.1-P767

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8](=[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])[H:31])[H:30])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])=[O:15].[O:17]=[O:18].[H][O:16][H:45]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:45])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:17][O:18][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E153 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](=[#8:7])-[H].[#8:15]=[#8:16].[#8:14](-[H:27])-[H]>>[#6:5]-[#6:6](=[#8:7])-[#8:14]-[H:27].[#8:15](-[#8:16]-[H])-[H]

EVODEX.1-C100 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:5]-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-N30 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]-[H:18]>>[#6:3]-[#6:5](=[#8:6])-[#8:7]-[H:18].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Em293 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:3](=[#8:2])-[#6:4].[#8:9]=[#8:10].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:4].[H]-[#8:9]-[#8:10]-[H]

EVODEX.1-Cm122 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:5]-[#8:7].[H]-[#8:8]-[#8:9]-[H]

EVODEX.1-Nm101 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:5](-[#6:3])=[#8:6].[#8:8]=[#8:9].[H]-[#8:7]>>[#6:3]-[#6:5](=[#8:6])-[#8:7].[H]-[#8:8]-[#8:9]-[H]

Source Full Reactions

EVODEX.1-R731

Full Reaction Rendering

[H][C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8](=[C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:42])([H:43])[H:44])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])([H:32])[H:33])[H:31])[H:30])([H:28])[H:29])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])=[O:15].[O:17]=[O:18].[H][O:16][H:45]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7](=[C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[O:15])[O:16][H:45])([H:20])[H:21])([H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])[H:29])[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])([H:43])[H:44].[H][O:17][O:18][H]