EVODEX Logo

EVODEX.1-P6118

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E363 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1](=[#6:2](-[#7:3])-[#7:12](-[#6@@:13])-[H:83])-[H:84]>>[#7:12](-[#6@@:13])(-[H:83])-[H].[#7:1](-[#6:2](-[#7:3])=[#8])(-[H:84])-[H]

EVODEX.1-C1019 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N1158 - Reaction Operator N

Reaction Operator N SMIRKS

nan

EVODEX.1-Em652 - Reaction Operator Em

Reaction Operator Em SMIRKS

nan

EVODEX.1-Cm170 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm585 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

nan

Source Full Reactions

EVODEX.1-R6726

Full Reaction Rendering

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