SMIRKS
[H][O:8][C:7]([C@:6]1([H:36])[C@:4]([O:5][H:31])([H:32])[C@@:3]([O:2][C:1]([H:41])([H:42])[H:43])([H:30])[C@:12]([O:13][H:39])([H:40])[C:10]([O:11][H:37])([H:38])[O:9]1)([H:34])[H:35].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P:15](=[O:14])([O:16][H:44])[O:17][H:45])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[C:1]([O:2][C@@:3]1([H:30])[C@@:4]([O:5][H:31])([H:32])[C@:6]([C:7]([O:8][P:15](=[O:14])([O:16][H:44])[O:17][H:45])([H:34])[H:35])([H:36])[O:9][C:10]([O:11][H:37])([H:38])[C@@:12]1([O:13][H:39])[H:40])([H:41])([H:42])[H:43]
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-C996 - Reaction Operator C
([H]-[#8:8].[#6@:4].[#6@:12]).[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:15])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>([#8:8]-[#15:15].[#6@@:4].[#6@@:12])
EVODEX.1-N1864 - Reaction Operator N
[H]-[#8:8]-[#6:7]-[#6@:6]-[#6@:4](-[#8:5])(-[H:32])-[#6@@:3]-[#6@:12](-[#8:13])(-[H:40])-[#6:10].[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[#8:5]-[#6@:4](-[#6@@:3]-[#6@:12](-[#6:10])(-[#8:13])-[H:40])(-[H:32])-[#6@:6]-[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]
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-R7173
[H][O:8][C:7]([C@:6]1([H:36])[C@:4]([O:5][H:31])([H:32])[C@@:3]([O:2][C:1]([H:41])([H:42])[H:43])([H:30])[C@:12]([O:13][H:39])([H:40])[C:10]([O:11][H:37])([H:38])[O:9]1)([H:34])[H:35].[O:14]=[P:15]([O:16][H:44])([O:17][H:45])[O:18][C@@:19]1([H:46])[O:20][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@@:26]([O:27][H:53])([H:54])[C@:28]1([O:29][H:55])[H:56]>>[C:1]([O:2][C@@:3]1([H:30])[C@@:4]([O:5][H:31])([H:32])[C@:6]([C:7]([O:8][P:15](=[O:14])([O:16][H:44])[O:17][H:45])([H:34])[H:35])([H:36])[O:9][C:10]([O:11][H:37])([H:38])[C@@:12]1([O:13][H:39])[H:40])([H:41])([H:42])[H:43].[H][O:18][C:19]1([H:46])[O:20][C@@:21]([C:22]([O:23][H:47])([H:48])[H:49])([H:50])[C@:24]([O:25][H:51])([H:52])[C@@:26]([O:27][H:53])([H:54])[C@:28]1([O:29][H:55])[H:56]