EVODEX Logo

EVODEX.1-P6481

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E198 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12](-[#6:13](-[H:32])(-[H:33])-[H])=[#6:14]-[#6:16](-[#8:17]-[#15:18])(-[H:38])-[H:39]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39].[#8:17](-[#15:18])-[H]

EVODEX.1-C928 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:13].[#6:16]-[#8:17])>>([#6:13].[#6:16]).[H]-[#8:17]

EVODEX.1-N1161 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:13](-[#6:12]=[#6:14]-[#6:16](-[#8:17]-[#15:18])(-[H:38])-[H:39])(-[H:32])-[H:33]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39].[H]-[#8:17]-[#15:18]

EVODEX.1-Em773 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:13]-[#6:12]=[#6:14]-[#6:16]-[#8:17]-[#15:18]>>[#6:12](=[#6:13])-[#6:14]=[#6:16].[H]-[#8:17]-[#15:18]

EVODEX.1-Cm301 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:13].[#6:16]-[#8:17])>>([#6:13].[#6:16]).[H]-[#8:17]

EVODEX.1-Nm694 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:13]-[#6:12]=[#6:14]-[#6:16]-[#8:17]-[#15:18]>>[#6:12](=[#6:13])-[#6:14]=[#6:16].[H]-[#8:17]-[#15:18]

Source Full Reactions

EVODEX.1-R7065

Full Reaction Rendering

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