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EVODEX.1-P425

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28].[H]OC(=O)[C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:30])([H:34])[H:35])([H:32])[H:33])=[O:16]>>[H]O[C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28].[H]O[C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:30])([H:34])[H:35])([H:32])[H:33])=[O:16]

Derived Operators

EVODEX.1-F91 - Elemental Balance

C-1

EVODEX.1-M42 - Mass Difference

-12.0

EVODEX.1-E664 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C56 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:4].[H]-[#8]-[#6](=[#8])-[#6:15]>>[H]-[#8]-[#6:4].[H]-[#8]-[#6:15]

EVODEX.1-N166 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em248 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:4]-[#6:3].[#8]-[#6](=[#8])-[#6:15](-[#6:14])=[#8:16]>>[H]-[#8]-[#6:4]-[#6:3].[H]-[#8]-[#6:15](-[#6:14])=[#8:16]

EVODEX.1-Cm93 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:4].[#6]-[#6:15]>>[#8]-[#6:4].[#8]-[#6:15]

EVODEX.1-Nm246 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:4]-[#6:3].[#8]-[#6](=[#8])-[#6:15](-[#6:14])=[#8:16]>>[H]-[#8]-[#6:4]-[#6:3].[H]-[#8]-[#6:15](-[#6:14])=[#8:16]

Source Full Reactions

EVODEX.1-R408

Full Reaction Rendering

[H][C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28].[H][O:19][C:17]([C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:30])([H:34])[H:35])([H:32])[H:33])=[O:16])=[O:18].[O:20]=[O:21]>>[C:17](=[O:18])=[O:19].[H][O:20][C:1]([C:2]1([H:22])[C:3]([H:23])([H:24])[N:4]([H:25])[C:5](=[O:6])[N:7]([H:26])[C:8]1=[O:9])([H:27])[H:28].[H][O:21][C:15]([C:14]([C:13]([C:11](=[O:10])[O:12][H:30])([H:34])[H:35])([H:32])[H:33])=[O:16]