SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:18](=[O:17])([O:19][H:30])[O:20][H:31].[H][O:4][C:3]([C:2](=[O:1])[C@@:5]([O:6][H:38])([C@:7]([O:8][H:39])([C@:9]([O:10][H:40])([C:11]([O:12][P:13](=[O:14])([O:15][H:41])[O:16][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])([H:36])[H:37]>>[O:1]=[C:2]([C:3]([O:4][P:18](=[O:17])([O:19][H:30])[O:20][H:31])([H:36])[H:37])[C@@:5]([O:6][H:38])([C@:7]([O:8][H:39])([C@:9]([O:10][H:40])([C:11]([O:12][P:13](=[O:14])([O:15][H:41])[O:16][H:42])([H:43])[H:44])[H:45])[H:46])[H:47]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E700 - Reaction Operator E
[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#6:33]-[#8:34]-[H]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-C417 - Reaction Operator C
[H]-[#8:27].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:44]>>[#8:27]-[#15:44]
EVODEX.1-N1343 - Reaction Operator N
[H]-[#8:11]-[#6:9].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:27](-[#8:26])(=[#8:28])-[#8:29]>>[#6:9]-[#8:11]-[#15:27](-[#8:26])(=[#8:28])-[#8:29]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R4155
[O:17]=[P:18]([O:19][H:30])([O:20][H:31])[O:21][P:22](=[O:23])([O:24][H:32])[O:25][P:26](=[O:27])([O:28][H:33])[O:29][H:34].[H][O:4][C:3]([C:2](=[O:1])[C@@:5]([O:6][H:38])([C@:7]([O:8][H:39])([C@:9]([O:10][H:40])([C:11]([O:12][P:13](=[O:14])([O:15][H:41])[O:16][H:42])([H:43])[H:44])[H:45])[H:46])[H:47])([H:36])[H:37]>>[O:1]=[C:2]([C:3]([O:4][P:18](=[O:17])([O:19][H:30])[O:20][H:31])([H:36])[H:37])[C@@:5]([O:6][H:38])([C@:7]([O:8][H:39])([C@:9]([O:10][H:40])([C:11]([O:12][P:13](=[O:14])([O:15][H:41])[O:16][H:42])([H:43])[H:44])[H:45])[H:46])[H:47].[H][O:21][P:22](=[O:23])([O:24][H:32])[O:25][P:26](=[O:27])([O:28][H:33])[O:29][H:34]