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EVODEX.1-P5868

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial 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]>>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].[H][N:1]([H])[H:28]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E342 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5]-[#6:6](=[#7:7]-[H:15])-[H:16]>>[#7:5]-[#6:6](=[#8])-[H:16].[#7:7](-[H:15])(-[H])-[H]

EVODEX.1-C1019 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:4]=[#6:5]>>[H]-[#7:4]-[H].[#8]=[#6:5]

EVODEX.1-N1409 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1](=[#6:2](-[#7:3])-[H:27])-[H:28]>>[#8]=[#6:2](-[#7:3])-[H:27].[H]-[#7:1](-[H])-[H:28]

EVODEX.1-Em684 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm170 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:4]=[#6:5]>>[H]-[#7:4]-[H].[#8]=[#6:5]

EVODEX.1-Nm617 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

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]