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EVODEX.1-P5864

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F73 - Elemental Balance

N-1
H-3

EVODEX.1-M12 - Mass Difference

-17.02659

EVODEX.1-E625 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5]-[#6:6](=[#7]-[H])-[H:16].[#8:11](-[H])-[H]>>[#7:5]-[#6:6](=[#8:11])-[H:16]

EVODEX.1-C1136 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#7]=[#6:2].[H]-[#8:15]-[H]>>[#6:2]=[#8:15]

EVODEX.1-N1408 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6:2](-[#7:3])-[H:26].[H]-[#8:15]-[H]>>[#6:2](-[#7:3])(=[#8:15])-[H:26]

EVODEX.1-Em683 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7]=[#6:6]-[#7:5].[H]-[#8:11]-[H]>>[#7:5]-[#6:6]=[#8:11]

EVODEX.1-Cm276 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]=[#6:6].[H]-[#8:11]-[H]>>[#6:6]=[#8:11]

EVODEX.1-Nm616 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7]=[#6:6]-[#7:5].[H]-[#8:11]-[H]>>[#7:5]-[#6:6]=[#8:11]

Source Full Reactions

EVODEX.1-R6546

Full Reaction Rendering

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