EVODEX.1-P5756

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]([H:27]):[C:12]:1[H:28])([H:29])[H:30])([C:13](=[O:14])[O:15][H:31])[H:32])[H:33])[O:16][C:17]([C:18]1:[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]([H:37]):[C:23]:1[H:38])([H:39])[H:40].[H][O:1][H:41]>>[H][N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]([H:27]):[C:12]:1[H:28])([H:29])[H:30])([C:13](=[O:14])[O:15][H:31])[H:32])[H:33].[O:2]=[C:3]=[O:16].[O:1]([C:17]([C:18]1:[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]([H:37]):[C:23]:1[H:38])([H:39])[H:40])[H:41]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E261 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#8:3]-[#6:4](=[#8:5])-[#7:6](-[#6:7])-[H:19])(-[H:20])-[H:21].[#8:13](-[H:25])-[H]>>[#6:1]-[#6:2](-[#8:13]-[H:25])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H].[#8:3]=[#6:4]=[#8:5]

EVODEX.1-C924 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:3](-[#7:4])-[#8:16]-[#6:17].[H]-[#8:1]>>[H]-[#7:4].[#6:3]=[#8:16].[#8:1]-[#6:17]

EVODEX.1-N1154 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:2]=[#6:3](-[#7:4](-[#6@@:5])-[H:33])-[#8:16]-[#6:17](-[#6:18])(-[H:39])-[H:40].[H]-[#8:1]-[H:41]>>[H]-[#7:4](-[#6@@:5])-[H:33].[#8:2]=[#6:3]=[#8:16].[#8:1](-[#6:17](-[#6:18])(-[H:39])-[H:40])-[H:41]

EVODEX.1-Em677 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:4]-[#7:5]-[#6:6](=[#8:7])-[#8:8]-[#6:9]-[#6:10].[H]-[#8:19]>>[#6:6](=[#8:7])=[#8:8].[#6:9](-[#6:10])-[#8:19].[H]-[#7:5]-[#6:4]

EVODEX.1-Cm270 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:5]-[#6:6]-[#8:8]-[#6:9].[H]-[#8:19]>>[#6:6]=[#8:8].[#6:9]-[#8:19].[H]-[#7:5]

EVODEX.1-Nm610 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:4]-[#7:5]-[#6:6](=[#8:7])-[#8:8]-[#6:9]-[#6:10].[H]-[#8:19]>>[#6:6](=[#8:7])=[#8:8].[#6:9](-[#6:10])-[#8:19].[H]-[#7:5]-[#6:4]

Source Full Reactions

EVODEX.1-R6454

Full Reaction Rendering

[O:2]=[C:3]([N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]([H:27]):[C:12]:1[H:28])([H:29])[H:30])([C:13](=[O:14])[O:15][H:31])[H:32])[H:33])[O:16][C:17]([C:18]1:[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]([H:37]):[C:23]:1[H:38])([H:39])[H:40].[H][O:1][H:41]>>[H][N:4]([C@@:5]([C:6]([C:7]1:[C:8]([H:24]):[C:9]([H:25]):[C:10]([H:26]):[C:11]([H:27]):[C:12]:1[H:28])([H:29])[H:30])([C:13](=[O:14])[O:15][H:31])[H:32])[H:33].[O:2]=[C:3]=[O:16].[O:1]([C:17]([C:18]1:[C:19]([H:34]):[C:20]([H:35]):[C:21]([H:36]):[C:22]([H:37]):[C:23]:1[H:38])([H:39])[H:40])[H:41]