EVODEX.1-P5019

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])[H:38])([C:18](=[O:19])[O:20][H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][N:21]([C@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:46])([H:47])[H:48])([H:49])[H:50])([C:28](=[O:29])[O:30][H:51])[H:52])[H:53]>>[C:3](=[O:4])([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])[H:38])([C:18](=[O:19])[O:20][H:39])[H:40])([H:41])[H:42])[N:21]([C@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:46])([H:47])[H:48])([H:49])[H:50])([C:28](=[O:29])[O:30][H:51])[H:52])[H:53].[H][O:2][C:1]([H:43])([H:44])[H:45]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E209 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:15]-[#6:16](=[#8:17])-[#6@:18].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:14]-[#8:15]-[H].[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N85 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:43]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12](-[#6@@:13])-[H:43].[H]-[#8:2]-[#6:1]

EVODEX.1-Em118 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm152 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5800

Full Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])[H:38])([C:18](=[O:19])[O:20][H:39])[H:40])([H:41])[H:42])([H:43])([H:44])[H:45].[H][N:21]([C@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:46])([H:47])[H:48])([H:49])[H:50])([C:28](=[O:29])[O:30][H:51])[H:52])[H:53]>>[C:3](=[O:4])([C:5]([C@:6]([N:7]([C:8](=[O:9])[O:10][C:11]([C:12]1:[C:13]([H:31]):[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]:1[H:35])([H:36])[H:37])[H:38])([C:18](=[O:19])[O:20][H:39])[H:40])([H:41])[H:42])[N:21]([C@:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:46])([H:47])[H:48])([H:49])[H:50])([C:28](=[O:29])[O:30][H:51])[H:52])[H:53].[H][O:2][C:1]([H:43])([H:44])[H:45]