EVODEX Logo

EVODEX.1-P6507

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F73 - Elemental Balance

N-1
H-3

EVODEX.1-M12 - Mass Difference

-17.02659

EVODEX.1-E629 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6@@:2](-[#6:3](-[#6:4])(-[H:22])-[H])(-[#6:13]=[#8:14])-[H:25])(-[H])-[H]>>[#6:2](=[#6:3](-[#6:4])-[H:22])(-[#6:13]=[#8:14])-[H:25]

EVODEX.1-C750 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N957 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6:2](-[#6:3](-[H])(-[#6:4])-[H:17])(-[#6:10])-[H:20]>>[#6:2](=[#6:3](-[#6:4])-[H:17])(-[#6:10])-[H:20]

EVODEX.1-Em775 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7](-[H])-[#6:2](-[#6:3](-[H])-[#6:4])-[#6:10]=[#8:11]>>[#6:2](=[#6:3]-[#6:4])-[#6:10]=[#8:11]

EVODEX.1-Cm303 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm696 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7](-[H])-[#6:2](-[#6:3](-[H])-[#6:4])-[#6:10]>>[#6:2](=[#6:3]-[#6:4])-[#6:10]

Source Full Reactions

EVODEX.1-R7088

Full Reaction Rendering

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