EVODEX.1-P4062

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:2][C:1]([H:30])([H:31])[H:32].[N:3](=[C:4]([N:5]([H:33])[H:34])[N:6]([C:7]([C:8]([C:9]([C@:10]([N:11]([H:35])[H:36])([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:37]):[N:19]([H:38]):[C:20]2:[C:21]([H:39]):[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]:1:2)([H:43])[H:44])([C:26](=[O:27])[O:28][H:45])[H:46])[H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])[H:55])[H:56]>>[C:1]([O:2][C:12]([C@:10]([C:9]([C:8]([C:7]([N:6]([C:4](=[N:3][H:56])[N:5]([H:33])[H:34])[H:55])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([N:11]([H:35])[H:36])[H:48])=[O:13])([H:30])([H:31])[H:32].[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:37]):[N:19]([H:38]):[C:20]2:[C:21]([H:39]):[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]:1:2)([H:43])[H:44])([C:26](=[O:27])[O:28][H:45])[H:46])[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-R4905

Full Reaction Rendering

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