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EVODEX.1-P417

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H][O:20][C:18]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:31])([H:35])[H:36])([H:33])[H:34])=[O:17])=[O:19].[O:21]=[O:22]>>[C:18](=[O:19])=[O:20].[H][O:21][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H][O:22][C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:31])([H:35])[H:36])([H:33])[H:34])=[O:17]

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-R406

Full Reaction Rendering

[H][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H][O:20][C:18]([C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:31])([H:35])[H:36])([H:33])[H:34])=[O:17])=[O:19].[O:21]=[O:22]>>[C:18](=[O:19])=[O:20].[H][O:21][C:1]([C:2]1:[C:3]([H:23]):[N:4]([C:5]([H:24])([H:25])[H:26]):[C:6](=[O:7]):[N:8]([H:27]):[C:9]:1=[O:10])([H:28])[H:29].[H][O:22][C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:31])([H:35])[H:36])([H:33])[H:34])=[O:17]