SMIRKS
[H]OP(=O)(O[H])O[C@@:6]([C@:4]([C:3](=[O:2])[H:26])([O:5][H:16])[H:25])([C@:12]([O:13][H:19])([C:14]([O:15][H:20])([H:21])[H:22])[H:23])[H:24].[H][O:1][H:27]>>[O:1]([C@@:6]([C@:4]([C:3](=[O:2])[H:26])([O:5][H:16])[H:25])([C@:12]([O:13][H:19])([C:14]([O:15][H:20])([H:21])[H:22])[H:23])[H:24])[H:27]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E852 - Reaction Operator E
[#6:9](-[#6@@:7])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:30])-[#6:15].[#8:16](-[H:36])-[H]>>[#8:16](-[#6@:9](-[#6@@:7])(-[H:30])-[#6:15])-[H:36]
EVODEX.1-C76 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6].[H]-[#8:1]>>[#8:1]-[#6:6]
EVODEX.1-N1739 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:6](-[#6@:4])(-[#6@:12])-[H:24].[H]-[#8:1]-[H:27]>>[#8:1](-[#6@@:6](-[#6@:4])(-[#6@:12])-[H:24])-[H:27]
EVODEX.1-Em622 - Reaction Operator Em
[#15]-[#8]-[#6:14](-[#6:5])-[#6:12].[H]-[#8:20]>>[#6:5]-[#6:14](-[#6:12])-[#8:20]
EVODEX.1-Nm557 - Reaction Operator Nm
[#15]-[#8]-[#6:14](-[#6:5])-[#6:12].[H]-[#8:20]>>[#6:5]-[#6:14](-[#6:12])-[#8:20]
Source Full Reactions
EVODEX.1-R5043
[O:2]=[C:3]([C@:4]([O:5][H:16])([C@:6]([O:7][P:8](=[O:9])([O:10][H:17])[O:11][H:18])([C@:12]([O:13][H:19])([C:14]([O:15][H:20])([H:21])[H:22])[H:23])[H:24])[H:25])[H:26].[H][O:1][H:27]>>[O:1]([C@@:6]([C@:4]([C:3](=[O:2])[H:26])([O:5][H:16])[H:25])([C@:12]([O:13][H:19])([C:14]([O:15][H:20])([H:21])[H:22])[H:23])[H:24])[H:27].[H][O:7][P:8](=[O:9])([O:10][H:17])[O:11][H:18]