SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[C:5]([C:4](=[C:2]([C:1]([H])([H:24])[H:25])[C:3]([H:15])([H:16])[H:17])[H:23])([H:21])[H:22]>>[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]
Derived Operators
EVODEX.1-F111 - Elemental Balance
P | -2 |
O | -7 |
H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E711 - Reaction Operator E
[#6:12](-[#6:13](-[H:32])(-[H:33])-[H])=[#6:14]-[#6:16](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:38])-[H:39]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39]
EVODEX.1-C929 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:16].[#6:13]-[H])>>([#6:13].[#6:16])
EVODEX.1-N1162 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:16](-[#6:14]=[#6:12]-[#6:13](-[H])(-[H:32])-[H:33])(-[H:38])-[H:39]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39]
EVODEX.1-Em774 - Reaction Operator Em
[#15]-[#8]-[#6:16]-[#6:14]=[#6:12]-[#6:13]-[H]>>[#6:12](=[#6:13])-[#6:14]=[#6:16]
EVODEX.1-Nm695 - Reaction Operator Nm
[#15]-[#8]-[#6:16]-[#6:14]=[#6:12]-[#6:13]-[H]>>[#6:12](=[#6:13])-[#6:14]=[#6:16]
Source Full Reactions
EVODEX.1-R7065
[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]