SMIRKS
[H]O[C@@]([H])(C(=O)C([H])([H])OP(=O)(O[H])O[H])[C@@:4]([C@:2]([C:1]([H:26])([H:27])[H:28])([O:3][H:16])[H:25])([O:5][H])[H:24]>>[C:1]([C@:2]([O:3][H:16])([C:4](=[O:5])[H:24])[H:25])([H:26])([H:27])[H:28]
Derived Operators
EVODEX.1-F58 - Elemental Balance
| P | -1 |
| O | -6 |
| C | -3 |
| H | -7 |
EVODEX.1-M214 - Mass Difference
-169.99801
EVODEX.1-E592 - Reaction Operator E
[#6:3]-[#6@@:4](-[#8:5]-[H])(-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])-[H:23]>>[#6:3]-[#6:4](=[#8:5])-[H:23]
EVODEX.1-C728 - Reaction Operator C
[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@:11]-[#8:12]-[H]>>[#6:11]=[#8:12]
EVODEX.1-N932 - Reaction Operator N
[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@:11](-[#8:12]-[H])(-[#6:13])-[H:37]>>[#6:11](=[#8:12])(-[#6:13])-[H:37]
EVODEX.1-Em87 - Reaction Operator Em
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
EVODEX.1-Nm123 - Reaction Operator Nm
[#6]-[#6](-[H])(-[#8])-[#6:5](-[#6:4])-[#8:6]-[H]>>[#6:4]-[#6:5]=[#8:6]
Source Full Reactions
EVODEX.1-R6851
[H][O:5][C@:4]([C@:2]([C:1]([H:26])([H:27])[H:28])([O:3][H:16])[H:25])([C@@:6]([O:7][H:18])([C:8](=[O:9])[C:10]([O:11][P:12](=[O:13])([O:14][H:19])[O:15][H:20])([H:21])[H:22])[H:23])[H:24]>>[H][C:6]([O:7][H:18])([C:8](=[O:9])[C:10]([O:11][P:12](=[O:13])([O:14][H:19])[O:15][H:20])([H:21])[H:22])[H:23].[C:1]([C@:2]([O:3][H:16])([C:4](=[O:5])[H:24])[H:25])([H:26])([H:27])[H:28]