EVODEX Logo

EVODEX.1-P2911

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]N([H])[C:8]([H])([C:9]([P:10](=[O:11])([O:12][H:18])[O:13][H:19])([H:20])[H:21])[H:22]>>O=[C:8]([C:9]([P:10](=[O:11])([O:12][H:18])[O:13][H:19])([H:20])[H:21])[H:22]

Derived Operators

EVODEX.1-F72 - Elemental Balance

O1
N-1
H-3

EVODEX.1-M60 - Mass Difference

-1.0316900000000002

EVODEX.1-E620 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:20](-[#6@@:19])(-[#7](-[H])-[H])(-[H:63])-[H]>>[#6:20](-[#6@@:19])(=[#8])-[H:63]

EVODEX.1-C60 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N242 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7](-[H])-[#6:8](-[H])(-[#6:9])-[H:22]>>[#8]=[#6:8](-[#6:9])-[H:22]

EVODEX.1-Em364 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm97 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7]-[#6:8]-[H]>>[#8]=[#6:8]

EVODEX.1-Nm324 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R3592

Full Reaction Rendering

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