EVODEX.1-P6458

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E83 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5](-[#6@:4])#[#7:6].[#8:14](-[H])-[H]>>[#6:5](-[#6@:4])(-[#7:6](-[H])-[H])=[#8:14]

EVODEX.1-C190 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:7]#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7]=[#8:9]

EVODEX.1-N881 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:7](-[#6@@:5])#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7](-[#6@@:5])=[#8:9]

EVODEX.1-Em693 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:7]#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7](-[#6:5])=[#8:9]

EVODEX.1-Cm171 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:7]#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7]=[#8:9]

EVODEX.1-Nm622 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:7]#[#7:8].[H]-[#8:9]-[H]>>[H]-[#7:8](-[H])-[#6:7](-[#6:5])=[#8:9]

Source Full Reactions

EVODEX.1-R7043

Full Reaction Rendering

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