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EVODEX.1-P410

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]1:[C:3]([H:22]):[N:4]([H:23]):[C:5](=[O:6]):[N:7]([H:24]):[C:8]:1=[O:9])([H:25])[H:26].[H][O:19][C:17]([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:28])([H:32])[H:33])([H:30])[H:31])=[O:16])=[O:18].[O:20]=[O:21]>>[C:17](=[O:18])=[O:19].[H][O:20][C:1]([C:2]1:[C:3]([H:22]):[N:4]([H:23]):[C:5](=[O:6]):[N:7]([H:24]):[C:8]:1=[O:9])([H:25])[H:26].[H][O:21][C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:28])([H:32])[H:33])([H:30])[H:31])=[O:16]

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-R403

Full Reaction Rendering

[H][C:1]([C:2]1:[C:3]([H:22]):[N:4]([H:23]):[C:5](=[O:6]):[N:7]([H:24]):[C:8]:1=[O:9])([H:25])[H:26].[H][O:19][C:17]([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:28])([H:32])[H:33])([H:30])[H:31])=[O:16])=[O:18].[O:20]=[O:21]>>[C:17](=[O:18])=[O:19].[H][O:20][C:1]([C:2]1:[C:3]([H:22]):[N:4]([H:23]):[C:5](=[O:6]):[N:7]([H:24]):[C:8]:1=[O:9])([H:25])[H:26].[H][O:21][C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:28])([H:32])[H:33])([H:30])[H:31])=[O:16]