EVODEX.1-P5923

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R6586

Full Reaction Rendering

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