EVODEX.1-P5124

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:2][C:1]([H:29])([H:30])[H:31].[N:3]([C:4](=[O:5])[C@:6]([C:7]([O:8][H:32])([H:33])[H:34])([N:9]([C:10](=[O:11])[C@:12]([C:13]([C:14](=[O:15])[O:16][H:35])([H:36])[H:37])([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:38]):[C:24]([H:39]):[C:25]([H:40]):[C:26]([H:41]):[C:27]:1[H:42])([H:43])[H:44])[H:45])[H:46])[H:47])[H:48])([H:49])[H:50]>>[C:1]([O:2][C:10](=[O:11])[C@:12]([C:13]([C:14](=[O:15])[O:16][H:35])([H:36])[H:37])([N:17]([C:18](=[O:19])[O:20][C:21]([C:22]1:[C:23]([H:38]):[C:24]([H:39]):[C:25]([H:40]):[C:26]([H:41]):[C:27]:1[H:42])([H:43])[H:44])[H:45])[H:46])([H:29])([H:30])[H:31].[H][N:9]([C@:6]([C:4]([N:3]([H:49])[H:50])=[O:5])([C:7]([O:8][H:32])([H:33])[H:34])[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-R5894

Full Reaction Rendering

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