SMIRKS
[O:1]=[C:2]([C:3]([O:4][H:29])([H:30])[H:31])[C@@:5]([O:6][H:32])([C@@:7]([O:8][C@@:9]1([H:33])[O:10][C@@:11]([C:12]([O:13][H:34])([H:35])[H:36])([H:37])[C@:14]([O:15][H:38])([H:39])[C@@:16]([O:17][H:40])([H:41])[C@:18]1([O:19][H:42])[H:43])([C@@:20]([O:21][H:44])([C:22]([O:23][H:45])([H:46])[H:47])[H:48])[H:49])[H:50]>>[H]OP(=O)(O[H])O[C@@:9]1([H:33])[O:10][C@@:11]([C:12]([O:13][H:34])([H:35])[H:36])([H:37])[C@:14]([O:15][H:38])([H:39])[C@@:16]([O:17][H:40])([H:41])[C@:18]1([O:19][H:42])[H:43].[H][O:8][C@:7]([C@@:5]([C:2](=[O:1])[C:3]([O:4][H:29])([H:30])[H:31])([O:6][H:32])[H:50])([C@@:20]([O:21][H:44])([C:22]([O:23][H:45])([H:46])[H:47])[H:48])[H:49]
Derived Operators
EVODEX.1-F305 - Elemental Balance
| P | 1 |
| O | 4 |
| H | 3 |
EVODEX.1-M26 - Mass Difference
97.97689
EVODEX.1-E1075 - Reaction Operator E
[#6:12]-[#8:13]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23]>>[#8]=[#15](-[#8]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23])(-[#8]-[H])-[#8]-[H].[#6:12]-[#8:13]-[H]
EVODEX.1-C1264 - Reaction Operator C
[#8:8](-[#6@@:7])-[#6@@:9]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:9].[H]-[#8:8]-[#6@:7]
EVODEX.1-N1577 - Reaction Operator N
[#8:8](-[#6@:7](-[#6@@:5])(-[#6@@:20])-[H:49])-[#6@@:9](-[H:33])(-[#8:10])-[#6@:18]>>[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:9](-[H:33])(-[#8:10])-[#6@:18].[H]-[#8:8]-[#6@:7](-[#6@@:5])(-[#6@@:20])-[H:49]
EVODEX.1-Em61 - Reaction Operator Em
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
EVODEX.1-Nm73 - Reaction Operator Nm
[#6:34]-[#8:35]-[#6:36](-[#8:37])-[#6:45]>>[#15]-[#8]-[#6:36](-[#8:37])-[#6:45].[H]-[#8:35]-[#6:34]
Source Full Reactions
EVODEX.1-R3217
[O:1]=[C:2]([C:3]([O:4][H:29])([H:30])[H:31])[C@@:5]([O:6][H:32])([C@@:7]([O:8][C@@:9]1([H:33])[O:10][C@@:11]([C:12]([O:13][H:34])([H:35])[H:36])([H:37])[C@:14]([O:15][H:38])([H:39])[C@@:16]([O:17][H:40])([H:41])[C@:18]1([O:19][H:42])[H:43])([C@@:20]([O:21][H:44])([C:22]([O:23][H:45])([H:46])[H:47])[H:48])[H:49])[H:50].[H][O:26][P:25](=[O:24])([O:27][H:52])[O:28][H:53]>>[C@:9]1([O:26][P:25](=[O:24])([O:27][H:52])[O:28][H:53])([H:33])[O:10][C@@:11]([C:12]([O:13][H:34])([H:35])[H:36])([H:37])[C@:14]([O:15][H:38])([H:39])[C@@:16]([O:17][H:40])([H:41])[C@:18]1([O:19][H:42])[H:43].[H][O:8][C@:7]([C@@:5]([C:2](=[O:1])[C:3]([O:4][H:29])([H:30])[H:31])([O:6][H:32])[H:50])([C@@:20]([O:21][H:44])([C:22]([O:23][H:45])([H:46])[H:47])[H:48])[H:49]