EVODEX.1-P5020

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E208 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:11]-[#8:12]-[H].[#6:2]-[#7:3](-[#6:4](=[#8:5])-[#6:6])-[H:20]>>[#6:4](=[#8:5])(-[#6:6])-[#8:12]-[#6:11].[#6:2]-[#7:3](-[H:20])-[H]

EVODEX.1-C77 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#7:6]-[#6:7].[H]-[#8:56]>>[H]-[#7:6]-[#6@:5].[#6:7]-[#8:56]

EVODEX.1-N1813 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:2]-[#6:1].[#6:3]-[#6@:4](-[#7:5](-[#6:6](=[#8:7])-[#6:8])-[H:52])(-[#6:24])-[H:59]>>[#6:1]-[#8:2]-[#6:6](=[#8:7])-[#6:8].[H]-[#7:5](-[#6@@:4](-[#6:3])(-[#6:24])-[H:59])-[H:52]

EVODEX.1-Em610 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:23]-[#6:22]>>[#6:5]-[#6:6](=[#8:7])-[#8:23]-[#6:22].[H]-[#7:8]-[#6:9]

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-Nm545 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:23]-[#6:22]>>[#6:5]-[#6:6](=[#8:7])-[#8:23]-[#6:22].[H]-[#7:8]-[#6:9]

Source Full Reactions

EVODEX.1-R5801

Full Reaction Rendering

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