EVODEX.1-P4632

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E134 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:15]-[#6:16](=[#8:17])-[#7:18](-[#6:19])-[H:33].[#8:28](-[H:65])-[H]>>[#6:15]-[#6:16](=[#8:17])-[#8:28]-[H:65].[#7:18](-[#6:19])(-[H:33])-[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-N1256 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:46](-[#6@@:38])(=[#8:47])-[#7:48](-[#6:49](-[#6:50])(-[#6:57])-[H:146])-[H:147].[H]-[#8:82]-[H:157]>>[#6:46](-[#6@@:38])(=[#8:47])-[#8:82]-[H:157].[H]-[#7:48](-[#6@@:49](-[#6:50])(-[#6:57])-[H:146])-[H:147]

EVODEX.1-Em51 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[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-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-R5455

Full Reaction Rendering

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