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EVODEX.1-P5755

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][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].[H]O[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]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E397 - 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]>>[#6:1]-[#6:2](-[#8]-[H])(-[H:20])-[H:21].[#7:6](-[#6:7])(-[H:19])-[H].[#8:3]=[#6:4]=[#8:5]

EVODEX.1-C1135 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1406 - 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]-[#7:4](-[#6@@:5])-[H:33].[#8:2]=[#6:3]=[#8:16].[H]-[#8]-[#6:17](-[#6:18])(-[H:39])-[H:40]

EVODEX.1-Em674 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]

EVODEX.1-Cm268 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:6]-[#6:7]-[#8:9]-[#6:10]>>[#6:7]=[#8:9].[#8]-[#6:10].[H]-[#7:6]

EVODEX.1-Nm607 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#7:6]-[#6:7](=[#8:8])-[#8:9]-[#6:10]-[#6:11]>>[#6:7](=[#8:8])=[#8:9].[H]-[#8]-[#6:10]-[#6:11].[H]-[#7:6]-[#6:5]

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]