EVODEX.1-P4866

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:35]):[C:10]([H:36]):[C:11]([H:37]):[C:12]([H:38]):[C:13]:1[H:39])([H:40])[H:41])([N:14]([C:15](=[O:16])[C:17](=[C:18]([C:19]1:[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[O:23]:1)[H:45])[H:46])[H:47])[H:48])[H:49])([C:24](=[O:25])[N:26]1[C:27]([H:50])([H:51])[C:28]([H:52])([H:53])[C:29]([H:54])([H:55])[C@:30]1([C:31](=[O:32])[O:33][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[H][O:34][H:62]>>[C:15](=[O:16])([C:17](=[C:18]([C:19]1:[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[O:23]:1)[H:45])[H:46])[O:34][H:62].[H][N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:59])([H:60])[H:61])([C:24](=[O:25])[N:26]1[C:27]([H:50])([H:51])[C:28]([H:52])([H:53])[C:29]([H:54])([H:55])[C@:30]1([C:31](=[O:32])[O:33][H:56])[H:57])[H:58])[H:49])=[O:5])([C:7]([C:8]1:[C:9]([H:35]):[C:10]([H:36]):[C:11]([H:37]):[C:12]([H:38]):[C:13]:1[H:39])([H:40])[H:41])[H:48])[H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C609 - Reaction Operator C

Reaction Operator C SMIRKS

([#7:14]-[#6:15].[#6@:2]).[H]-[#8:26]>>([H]-[#7:14].[#6@@:2]).[#6:15]-[#8:26]

EVODEX.1-N1388 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:1]-[#6@:2](-[#7:3])(-[#6:24])-[H:58].[#7:14](-[#6@:6])(-[#6:15](=[#8:16])-[#6:17])-[H:47]).[H]-[#8:34]-[H:62]>>[#6:15](=[#8:16])(-[#6:17])-[#8:34]-[H:62].([H]-[#7:14](-[#6@:6])-[H:47].[#7:3]-[#6@@:2](-[#6:1])(-[#6:24])-[H:58])

EVODEX.1-Em648 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]=[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:6]=[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

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-Nm49 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

Source Full Reactions

EVODEX.1-R5660

Full Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@:6]([C:7]([C:8]1:[C:9]([H:35]):[C:10]([H:36]):[C:11]([H:37]):[C:12]([H:38]):[C:13]:1[H:39])([H:40])[H:41])([N:14]([C:15](=[O:16])[C:17](=[C:18]([C:19]1:[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[O:23]:1)[H:45])[H:46])[H:47])[H:48])[H:49])([C:24](=[O:25])[N:26]1[C:27]([H:50])([H:51])[C:28]([H:52])([H:53])[C:29]([H:54])([H:55])[C@:30]1([C:31](=[O:32])[O:33][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[H][O:34][H:62]>>[C:15](=[O:16])([C:17](=[C:18]([C:19]1:[C:20]([H:42]):[C:21]([H:43]):[C:22]([H:44]):[O:23]:1)[H:45])[H:46])[O:34][H:62].[H][N:14]([C@:6]([C:4]([N:3]([C@@:2]([C:1]([H:59])([H:60])[H:61])([C:24](=[O:25])[N:26]1[C:27]([H:50])([H:51])[C:28]([H:52])([H:53])[C:29]([H:54])([H:55])[C@:30]1([C:31](=[O:32])[O:33][H:56])[H:57])[H:58])[H:49])=[O:5])([C:7]([C:8]1:[C:9]([H:35]):[C:10]([H:36]):[C:11]([H:37]):[C:12]([H:38]):[C:13]:1[H:39])([H:40])[H:41])[H:48])[H:47]