EVODEX.1-P766

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][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:36])([H:37])[H:38])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:29])[H:28])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])=[O:13].[O:15]=[O:16].[H][O:14][H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:39])([H:18])[H:19])([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][O:15][O:16][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-R730

Full Reaction Rendering

[H][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:36])([H:37])[H:38])([H:34])[H:35])([H:32])[H:33])([H:30])[H:31])[H:29])[H:28])([H:26])[H:27])([H:24])[H:25])([H:22])[H:23])([H:20])[H:21])([H:18])[H:19])=[O:13].[O:15]=[O:16].[H][O:14][H:39]>>[C:1]([C:2]([C:3]([C:4]([C:5](=[C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:39])([H:18])[H:19])([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][O:15][O:16][H]