SMIRKS
[H]O[C@@]([H])(C(=O)C([H])([H])OP(=O)(O[H])O[H])[C@@:11]([O:12][H])([C:13]([O:14][C:15]([C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([H:31]):[C:21]:1[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]>>[C:11](=[O:12])([C:13]([O:14][C:15]([C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([H:31]):[C:21]:1[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]
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-R6868
[H][O:12][C@:11]([C@:9]([C:2](=[O:1])[C:3]([O:4][P:5](=[O:6])([O:7][H:22])[O:8][H:23])([H:24])[H:25])([O:10][H:26])[H:38])([C:13]([O:14][C:15]([C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([H:31]):[C:21]:1[H:32])([H:33])[H:34])([H:35])[H:36])[H:37]>>[C:11](=[O:12])([C:13]([O:14][C:15]([C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([H:31]):[C:21]:1[H:32])([H:33])[H:34])([H:35])[H:36])[H:37].[H][C:9]([C:2](=[O:1])[C:3]([O:4][P:5](=[O:6])([O:7][H:22])[O:8][H:23])([H:24])[H:25])([O:10][H:26])[H:38]