EVODEX.1-P6254

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:8][C:7]([C:5]([C:2](=[O:1])[C:3]([O:4][H:24])([H:25])[H:26])([O:6][H:27])[H:44])([C@@:9]1([H:29])[C:10]([H:30])([H:31])[C:11]([H:32])([H:33])[C:12]([H:34])([H:35])[N:13]1[C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42])[H:43]>>[C:7](=[O:8])([C@@:9]1([H:29])[C:10]([H:30])([H:31])[C:11]([H:32])([H:33])[C:12]([H:34])([H:35])[N:13]1[C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42])[H:43].[H][C:5]([C:2](=[O:1])[C:3]([O:4][H:24])([H:25])[H:26])([O:6][H:27])[H:44]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E172 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:3]-[#6@@:4](-[#8:5]-[H])(-[#6@@:6](-[#8:7])(-[#6:8])-[H:22])-[H:23]>>[#6:6](-[#8:7])(-[#6:8])(-[H:22])-[H].[#6:3]-[#6:4](=[#8:5])-[H:23]

EVODEX.1-C3 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-N928 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:14]-[#6@@:13](-[#6@:11](-[#6:10])(-[#8:12])-[H:42])(-[#6:15])-[H:41]>>[#6:13](=[#8:14])(-[#6:15])-[H:41].[H]-[#6:11](-[#6:10])(-[#8:12])-[H:42]

EVODEX.1-Em736 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:14]-[#6:13](-[#6:11](-[#6:10])-[#8:12])-[#6:15]>>[#6:13](=[#8:14])-[#6:15].[H]-[#6:11](-[#6:10])-[#8:12]

EVODEX.1-Cm26 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:5]-[#6:4]-[#6:6]>>[#6:4]=[#8:5].[H]-[#6:6]

EVODEX.1-Nm665 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:14]-[#6:13](-[#6:11](-[#6:10])-[#8:12])-[#6:15]>>[#6:13](=[#8:14])-[#6:15].[H]-[#6:11](-[#6:10])-[#8:12]

Source Full Reactions

EVODEX.1-R6858

Full Reaction Rendering

[H][O:8][C:7]([C:5]([C:2](=[O:1])[C:3]([O:4][H:24])([H:25])[H:26])([O:6][H:27])[H:44])([C@@:9]1([H:29])[C:10]([H:30])([H:31])[C:11]([H:32])([H:33])[C:12]([H:34])([H:35])[N:13]1[C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42])[H:43]>>[C:7](=[O:8])([C@@:9]1([H:29])[C:10]([H:30])([H:31])[C:11]([H:32])([H:33])[C:12]([H:34])([H:35])[N:13]1[C:14](=[O:15])[O:16][C:17]([C:18]1:[C:19]([H:36]):[C:20]([H:37]):[C:21]([H:38]):[C:22]([H:39]):[C:23]:1[H:40])([H:41])[H:42])[H:43].[H][C:5]([C:2](=[O:1])[C:3]([O:4][H:24])([H:25])[H:26])([O:6][H:27])[H:44]