EVODEX.1-P4846

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-N93 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10](-[#6:11])-[H:30].[H]-[#8:23]-[H:39]>>[#6:7]-[#6:8](=[#8:9])-[#8:23]-[H:39].[H]-[#7:10](-[#6:11])-[H:30]

EVODEX.1-Em648 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]=[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:6]=[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

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-R5642

Full Reaction Rendering

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