EVODEX.1-P4697

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-C12 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-N1120 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8](-[#6@:9])-[H:34].[H]-[#8:23]-[#6:22]>>[#6:5]-[#6:6](=[#8:7])-[#8:23]-[#6:22].[H]-[#7:8](-[#6@:9])-[H:34]

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-R5516

Full Reaction Rendering

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