SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P:13](=[O:12])([O:14][H:28])[O:15][H:29])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H].[H][O:11][C:10]([C@:8]([C@:6]([C@@:4]([C:3]([C:2](=[O:1])[H:52])([H:50])[H:51])([O:5][H:41])[H:49])([O:7][H:42])[H:48])([O:9][H:43])[H:47])([H:45])[H:46]>>[O:1]=[C:2]([C:3]([C@@:4]([O:5][H:41])([C@:6]([O:7][H:42])([C@:8]([O:9][H:43])([C:10]([O:11][P:13](=[O:12])([O:14][H:28])[O:15][H:29])([H:45])[H:46])[H:47])[H:48])[H:49])([H:50])[H:51])[H:52]
Derived Operators
EVODEX.1-F359 - Elemental Balance
| O | -6 |
| C | -6 |
| H | -12 |
EVODEX.1-M41 - Mass Difference
-180.06336000000002
EVODEX.1-E1150 - Reaction Operator E
[#6:7]-[#8:8]-[H].[#8:14]=[#15:15](-[#8:16])(-[#8:17])-[#8]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]
EVODEX.1-C1084 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:13])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:11]>>[#8:11]-[#15:13]
EVODEX.1-N1333 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:13](=[#8:12])(-[#8:14])-[#8:15])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:11]-[#6:10]>>[#6:10]-[#8:11]-[#15:13](=[#8:12])(-[#8:14])-[#8:15]
EVODEX.1-Em556 - Reaction Operator Em
[H]-[#8:8]-[#6:7].[#6]-[#8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]
EVODEX.1-Nm502 - Reaction Operator Nm
[H]-[#8:8]-[#6:7].[#6]-[#8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]
Source Full Reactions
EVODEX.1-R7169
[O:12]=[P:13]([O:14][H:28])([O:15][H:29])[O:16][C@@:17]1([H:30])[O:18][C@@:19]([C:20]([O:21][H:31])([H:32])[H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]([O:25][H:37])([H:38])[C@:26]1([O:27][H:39])[H:40].[H][O:11][C:10]([C@:8]([C@:6]([C@@:4]([C:3]([C:2](=[O:1])[H:52])([H:50])[H:51])([O:5][H:41])[H:49])([O:7][H:42])[H:48])([O:9][H:43])[H:47])([H:45])[H:46]>>[O:1]=[C:2]([C:3]([C@@:4]([O:5][H:41])([C@:6]([O:7][H:42])([C@:8]([O:9][H:43])([C:10]([O:11][P:13](=[O:12])([O:14][H:28])[O:15][H:29])([H:45])[H:46])[H:47])[H:48])[H:49])([H:50])[H:51])[H:52].[H][O:16][C:17]1([H:30])[O:18][C@@:19]([C:20]([O:21][H:31])([H:32])[H:33])([H:34])[C@:22]([O:23][H:35])([H:36])[C@@:24]([O:25][H:37])([H:38])[C@:26]1([O:27][H:39])[H:40]