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EVODEX.1-P5867

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F74 - Elemental Balance

O1
N-1
H-1

EVODEX.1-M17 - Mass Difference

0.9839699999999996

EVODEX.1-E635 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C707 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N872 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7]=[#6:2](-[#7:3])-[H:27]>>[#8]=[#6:2](-[#7:3])-[H:27]

EVODEX.1-Em681 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7]=[#6:2]-[#7:3]>>[#8]=[#6:2]-[#7:3]

EVODEX.1-Cm274 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]=[#6:2]>>[#8]=[#6:2]

EVODEX.1-Nm614 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7]=[#6:2]-[#7:3]>>[#8]=[#6:2]-[#7:3]

Source Full Reactions

EVODEX.1-R6547

Full Reaction Rendering

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