EVODEX.1-P5127

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E177 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:6](-[#6@@:5])(-[#6:7](=[#8:8])-[#8:9])-[H:28].[#8:20](-[H:38])-[H]>>[#6:7](=[#8:8])(-[#8:9])-[#8:20]-[H:38].[#7:6](-[#6@@:5])(-[H:28])-[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-N1821 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:18](-[#6@:16])(-[#6:19](=[#8:20])-[#8:21])-[H:47].[H]-[#8:29]-[H:54]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29]-[H:54].[H]-[#7:18](-[#6@:16])-[H:47]

EVODEX.1-Em618 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

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-Nm553 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:16]-[#7:18]-[#6:19](=[#8:20])-[#8:21].[H]-[#8:29]>>[#6:19](=[#8:20])(-[#8:21])-[#8:29].[H]-[#7:18]-[#6:16]

Source Full Reactions

EVODEX.1-R5897

Full Reaction Rendering

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