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EVODEX.1-P409

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:8]1([H:25])[C@:4]([C:5](=[O:6])[O:7][H:23])([H:24])[N:3]=[C:2]([C:1]([H:30])([H:31])[H:32])[N:10]([H:29])[C:9]1([H:27])[H:28].[H]OC(=O)[C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:33])([H:37])[H:38])([H:35])[H:36])=[O:17]>>[H]O[C@:8]1([H:25])[C@:4]([C:5](=[O:6])[O:7][H:23])([H:24])[N:3]=[C:2]([C:1]([H:30])([H:31])[H:32])[N:10]([H:29])[C:9]1([H:27])[H:28].[H]O[C:16]([C:15]([C:14]([C:12](=[O:11])[O:13][H:33])([H:37])[H:38])([H:35])[H:36])=[O:17]

Derived Operators

EVODEX.1-F91 - Elemental Balance

C-1

EVODEX.1-M42 - Mass Difference

-12.0

EVODEX.1-E665 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:13]-[#6:14](-[H:34])(-[H])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#6](=[#8])-[#8]-[H]>>[#6:13]-[#6@:14](-[#8]-[H])(-[H:34])-[#6@@:15].[#6:6]-[#6:7](=[#8:8])-[#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-N164 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:8](-[H:25])(-[#6@:4])-[#6:9].[H]-[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6@:8](-[H:25])(-[#6@:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

EVODEX.1-Em246 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:8](-[#6:4])-[#6:9].[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6:8](-[#6:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

EVODEX.1-Cm93 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm244 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:8](-[#6:4])-[#6:9].[#8]-[#6](=[#8])-[#6:16](-[#6:15])=[#8:17]>>[H]-[#8]-[#6:8](-[#6:4])-[#6:9].[H]-[#8]-[#6:16](-[#6:15])=[#8:17]

Source Full Reactions

EVODEX.1-R402

Full Reaction Rendering

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