EVODEX.1-P4760

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:31][H:58]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[O:31][H:58])[H:53])[H:54])([H:55])([H:56])[H:57].[H][N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52]

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-R5568

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52])[H:53])[H:54])([H:55])([H:56])[H:57].[H][O:31][H:58]>>[C:1]([C:2]([C:3]([H:32])([H:33])[H:34])([C@:4]([N:5]([H:35])[H:36])([C:6](=[O:7])[O:31][H:58])[H:53])[H:54])([H:55])([H:56])[H:57].[H][N:8]1[C:9]([H:37])([H:38])[C:10]([H:39])([H:40])[C:11]([H:41])([H:42])[C@:12]1([C:13](=[O:14])[N:15]([C:16]1:[C:17]([H:43]):[C:18]([H:44]):[C:19]2:[C:20]([C:21]([C:22]([N:23]([H:45])[H:46])=[O:24])([H:47])[H:48]):[C:25]([H:49]):[C:26](=[O:27]):[O:28]:[C:29]:2:[C:30]:1[H:50])[H:51])[H:52]