SMIRKS
[H]OP(=O)(O[H])O[C@@:6]1([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47].[H][O:32][C@:31]1([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]2:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:2[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]1([O:34][H:59])[H:60]>>[C@@:6]1([O:32][C@:31]2([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]3:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:3[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]2([O:34][H:59])[H:60])([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-C76 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:6].[H]-[#8:1]>>[#8:1]-[#6:6]
EVODEX.1-N74 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:6](-[H:51])(-[#8:7])-[#6@:15].[H]-[#8:48]-[#6@:47]>>[#8:48](-[#6@:6](-[H:51])(-[#8:7])-[#6@:15])-[#6@:47]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3134
[O:1]=[P:2]([O:3][H:35])([O:4][H:36])[O:5][C@@:6]1([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47].[H][O:32][C@:31]1([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]2:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:2[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]1([O:34][H:59])[H:60]>>[C@@:6]1([O:32][C@:31]2([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]3:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:3[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]2([O:34][H:59])[H:60])([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47].[H][O:5][P:2](=[O:1])([O:3][H:35])[O:4][H:36]