EVODEX.1-P5974

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:28])[O:8][C:9]([C@@:10]1([H:29])[O:11][C@:12]([N:13]2:[C:14]([H:30]):[N:15]:[C:16]3:[C:17]([N:18]([H:31])[H:32]):[N:19]:[C:20]([H:33]):[N:21]:[C:22]:2:3)([H:34])[C@@:23]([O:24][H:35])([H:36])[C@@:25]1([O:26][H:37])[H:38])([H:39])[H:40])([H:41])([H:42])[H:43].[H][O:27][H:44]>>[C:1]([C:2](=[O:3])[O:27][H:44])([H:41])([H:42])[H:43].[H][O:4][P:5](=[O:6])([O:7][H:28])[O:8][C:9]([C@@:10]1([H:29])[O:11][C@:12]([N:13]2:[C:14]([H:30]):[N:15]:[C:16]3:[C:17]([N:18]([H:31])[H:32]):[N:19]:[C:20]([H:33]):[N:21]:[C:22]:2:3)([H:34])[C@@:23]([O:24][H:35])([H:36])[C@@:25]1([O:26][H:37])[H:38])([H:39])[H:40]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E197 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9].[#8:1](-[H:24])-[H]>>[#8:1](-[#6:3](=[#8:2])-[#6:9])-[H:24].[#8:4](-[#15:5])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N1276 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9].[H]-[#8:1]-[H:24]>>[#8:1](-[#6:3](=[#8:2])-[#6:9])-[H:24].[H]-[#8:4]-[#15:5]

EVODEX.1-Em694 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm623 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:2]=[#6:3](-[#8:4]-[#15:5])-[#6:9].[H]-[#8:1]>>[#8:1]-[#6:3](=[#8:2])-[#6:9].[H]-[#8:4]-[#15:5]

Source Full Reactions

EVODEX.1-R6619

Full Reaction Rendering

[C:1]([C:2](=[O:3])[O:4][P:5](=[O:6])([O:7][H:28])[O:8][C:9]([C@@:10]1([H:29])[O:11][C@:12]([N:13]2:[C:14]([H:30]):[N:15]:[C:16]3:[C:17]([N:18]([H:31])[H:32]):[N:19]:[C:20]([H:33]):[N:21]:[C:22]:2:3)([H:34])[C@@:23]([O:24][H:35])([H:36])[C@@:25]1([O:26][H:37])[H:38])([H:39])[H:40])([H:41])([H:42])[H:43].[H][O:27][H:44]>>[C:1]([C:2](=[O:3])[O:27][H:44])([H:41])([H:42])[H:43].[H][O:4][P:5](=[O:6])([O:7][H:28])[O:8][C:9]([C@@:10]1([H:29])[O:11][C@:12]([N:13]2:[C:14]([H:30]):[N:15]:[C:16]3:[C:17]([N:18]([H:31])[H:32]):[N:19]:[C:20]([H:33]):[N:21]:[C:22]:2:3)([H:34])[C@@:23]([O:24][H:35])([H:36])[C@@:25]1([O:26][H:37])[H:38])([H:39])[H:40]