EVODEX.1-P6460

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:13]([H])[C:12]([C:4]([C:3]([O:2][C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([C:5]([C:6]1:[C:7]([H:15]):[C:8]([H:16]):[C:9]([H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])[H:21])[H:24])=[O:14]>>[C:1]([O:2][C:3]([C:4]([C:5]([C:6]1:[C:7]([H:15]):[C:8]([H:16]):[C:9]([H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])[H:21])([C:12]#[N:13])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:14][H]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E85 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C747 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N954 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:1](-[H])-[#6:2](=[#8:3])-[#6:4]>>[#7:1]#[#6:2]-[#6:4].[H]-[#8:3]-[H]

EVODEX.1-Em771 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:1](-[H])-[#6:2](=[#8:3])-[#6:4]>>[#7:1]#[#6:2]-[#6:4].[H]-[#8:3]-[H]

EVODEX.1-Cm300 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm692 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:1](-[H])-[#6:2](=[#8:3])-[#6:4]>>[#7:1]#[#6:2]-[#6:4].[H]-[#8:3]-[H]

Source Full Reactions

EVODEX.1-R7045

Full Reaction Rendering

[H][N:13]([H])[C:12]([C:4]([C:3]([O:2][C:1]([H:27])([H:28])[H:29])([H:25])[H:26])([C:5]([C:6]1:[C:7]([H:15]):[C:8]([H:16]):[C:9]([H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])[H:21])[H:24])=[O:14]>>[C:1]([O:2][C:3]([C:4]([C:5]([C:6]1:[C:7]([H:15]):[C:8]([H:16]):[C:9]([H:17]):[C:10]([H:18]):[C:11]:1[H:19])([H:20])[H:21])([C:12]#[N:13])[H:24])([H:25])[H:26])([H:27])([H:28])[H:29].[H][O:14][H]