EVODEX.1-P6557

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E89 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1](-[#7:2]=[#6:3](-[#6:4])-[H])-[H:23]>>[#7:2]#[#6:3]-[#6:4].[#8:1](-[H:23])-[H]

EVODEX.1-C759 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N966 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:3](=[#7:2]-[#8:1]-[H:13])-[#6:4]>>[#7:2]#[#6:3]-[#6:4].[H]-[#8:1]-[H:13]

EVODEX.1-Em785 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm311 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm706 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7138

Full Reaction Rendering

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