EVODEX.1-P395

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E292 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4](-[#6@:3])(-[H:22])(-[H:23])-[H].[#6:14]-[#6:15](=[#8:16])-[#6:17](=[#8:18])-[#8:19]-[H].[#8:20]=[#8:21]>>[#6:17](=[#8:18])=[#8:19].[#6:4](-[#6@:3])(-[#8:20]-[H])(-[H:22])-[H:23].[#6:14]-[#6:15](=[#8:16])-[#8:21]-[H]

EVODEX.1-C52 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-N174 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#6:2])(-[H:27])-[H:28].[H]-[#8:21]-[#6:19](-[#6:17](-[#6:16])=[#8:18])=[#8:20].[#8:22]=[#8:23]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8:22]-[#6:1](-[#6:2])(-[H:27])-[H:28].[H]-[#8:23]-[#6:17](-[#6:16])=[#8:18]

EVODEX.1-Em256 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#6:2].[H]-[#8:21]-[#6:19](-[#6:17](-[#6:16])=[#8:18])=[#8:20].[#8:22]=[#8:23]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8:22]-[#6:1]-[#6:2].[H]-[#8:23]-[#6:17](-[#6:16])=[#8:18]

EVODEX.1-Cm54 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:5].[H]-[#8:23]-[#6:21]-[#6:19].[#8:24]=[#8:25]>>[#6:21]=[#8:23].[H]-[#8:24]-[#6:5].[H]-[#8:25]-[#6:19]

EVODEX.1-Nm254 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#6:2].[H]-[#8:21]-[#6:19](-[#6:17](-[#6:16])=[#8:18])=[#8:20].[#8:22]=[#8:23]>>[#6:19](=[#8:20])=[#8:21].[H]-[#8:22]-[#6:1]-[#6:2].[H]-[#8:23]-[#6:17](-[#6:16])=[#8:18]

Source Full Reactions

EVODEX.1-R391

Full Reaction Rendering

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