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EVODEX.1-P5433

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F168 - Elemental Balance

O-1
N-1
H-3

EVODEX.1-M261 - Mass Difference

-33.02149

EVODEX.1-E834 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#7](-[#8]-[H])-[H].[#8:7](-[H:15])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:15]

EVODEX.1-C922 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#7](-[H])-[#6:2].[H]-[#8:6]>>[#6:2]-[#8:6]

EVODEX.1-N1150 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#7](-[H])-[#6:2](-[#6:1])=[#8:3].[H]-[#8:6]-[H:12]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]-[H:12]

EVODEX.1-Em659 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8]-[#7](-[H])-[#6:2](-[#6:1])=[#8:3].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]

EVODEX.1-Cm3 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:4].[H]-[#8:13]>>[#6:4]-[#8:13]

EVODEX.1-Nm592 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8]-[#7](-[H])-[#6:2](-[#6:1])=[#8:3].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]

Source Full Reactions

EVODEX.1-R6184

Full Reaction Rendering

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