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EVODEX.1-P5624

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]ON([H])[C:7]([C@:5]([C:4]([C:2]([N:1]([H:19])[H:20])=[O:3])([H:17])[H:18])([N:6]([H:12])[H:13])[H:16])=[O:8]>>[H]O[C:7]([C@:5]([C:4]([C:2]([N:1]([H:19])[H:20])=[O:3])([H:17])[H:18])([N:6]([H:12])[H:13])[H:16])=[O:8]

Derived Operators

EVODEX.1-F181 - Elemental Balance

N-1
H-1

EVODEX.1-M267 - Mass Difference

-15.01093

EVODEX.1-E875 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7](-[#8]-[H])-[H]>>[#6:7]-[#6:8](=[#8:9])-[#8]-[H]

EVODEX.1-C677 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#7](-[H])-[#6:8]>>[H]-[#8]-[#6:8]

EVODEX.1-N835 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#7](-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]

EVODEX.1-Em661 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#7](-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]

EVODEX.1-Cm4 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:42]>>[#8]-[#6:42]

EVODEX.1-Nm594 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#7](-[H])-[#6:8](-[#6:7])=[#8:9]>>[H]-[#8]-[#6:8](-[#6:7])=[#8:9]

Source Full Reactions

EVODEX.1-R6352

Full Reaction Rendering

[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([H:12])[H:13])([C:7](=[O:8])[N:9]([O:10][H:14])[H:15])[H:16])([H:17])[H:18])([H:19])[H:20].[H][O:11][H:21]>>[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([H:12])[H:13])([C:7](=[O:8])[O:11][H:21])[H:16])([H:17])[H:18])([H:19])[H:20].[H][N:9]([O:10][H:14])[H:15]