EVODEX.1-P4758

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@@:2]([O:3][H:32])([C@:4]([N:5]([H:33])[H:34])([C:6](=[O:7])[N:8]1[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]([H:39])([H:40])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:43])[H:44])=[O:24])([H:45])[H:46]):[C:25]([H:47]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:48])[H:49])[H:50])[H:51])[H:52])([H:53])([H:54])[H:55].[H][O:31][H:56]>>[C:1]([C@@:2]([O:3][H:32])([C@:4]([N:5]([H:33])[H:34])([C:6](=[O:7])[O:31][H:56])[H:51])[H:52])([H:53])([H:54])[H:55].[H][N:8]1[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]([H:39])([H:40])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:43])[H:44])=[O:24])([H:45])[H:46]):[C:25]([H:47]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:48])[H:49])[H:50]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E207 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6@@:13].[#8:22](-[H:39])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:22]-[H:39].[#7:4](-[#6:5])(-[#6@@:13])-[H]

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-N1260 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6@@:13].[H]-[#8:22]-[H:39]>>[#6:1]-[#6:2](=[#8:3])-[#8:22]-[H:39].[H]-[#7:4](-[#6:5])-[#6@@:13]

EVODEX.1-Em645 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6:13].[H]-[#8:22]>>[#6:1]-[#6:2](=[#8:3])-[#8:22].[H]-[#7:4](-[#6:5])-[#6:13]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm580 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#6:5])-[#6:13].[H]-[#8:22]>>[#6:1]-[#6:2](=[#8:3])-[#8:22].[H]-[#7:4](-[#6:5])-[#6:13]

Source Full Reactions

EVODEX.1-R5567

Full Reaction Rendering

[C:1]([C@@:2]([O:3][H:32])([C@:4]([N:5]([H:33])[H:34])([C:6](=[O:7])[N:8]1[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]([H:39])([H:40])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:43])[H:44])=[O:24])([H:45])[H:46]):[C:25]([H:47]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:48])[H:49])[H:50])[H:51])[H:52])([H:53])([H:54])[H:55].[H][O:31][H:56]>>[C:1]([C@@:2]([O:3][H:32])([C@:4]([N:5]([H:33])[H:34])([C:6](=[O:7])[O:31][H:56])[H:51])[H:52])([H:53])([H:54])[H:55].[H][N:8]1[C:9]([H:35])([H:36])[C:10]([H:37])([H:38])[C:11]([H:39])([H:40])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:41]):[C:18]([H:42]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:43])[H:44])=[O:24])([H:45])[H:46]):[C:25]([H:47]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:48])[H:49])[H:50]