SMIRKS
[H][O:18][C@:17]1([H:46])[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])[O:8][C@@:7]([C:6]([O:5][P:2](=[O:1])([O:3][H:37])[O:4][H:38])([H:49])[H:50])([H:39])[C@:19]1([O:20][H:47])[H:48].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P:22](=[O:21])([O:23][H:51])[O:24][H:52])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[O:1]=[P:2]([O:3][H:37])([O:4][H:38])[O:5][C:6]([C@@:7]1([H:39])[O:8][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])[C@:17]([O:18][P:22](=[O:21])([O:23][H:51])[O:24][H:52])([H:46])[C@@:19]1([O:20][H:47])[H:48])([H:49])[H:50]
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-N1862 - Reaction Operator N
[H]-[#8:18]-[#6@@:17]1-[#6@@:9](-[#8:10])(-[#6:11])-[#8:8]-[#6@@:7]-[#6@:19]-1(-[#8:20])-[H:48].[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:22](=[#8:21])(-[#8:23])-[#8:24])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[#8:8]1-[#6@@:7]-[#6@:19](-[#6@:17](-[#6@@:9]-1(-[#8:10])-[#6:11])-[#8:18]-[#15:22](=[#8:21])(-[#8:23])-[#8:24])(-[#8:20])-[H:48]
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-R7168
[H][O:18][C@:17]1([H:46])[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])[O:8][C@@:7]([C:6]([O:5][P:2](=[O:1])([O:3][H:37])[O:4][H:38])([H:49])[H:50])([H:39])[C@:19]1([O:20][H:47])[H:48].[O:21]=[P:22]([O:23][H:51])([O:24][H:52])[O:25][C@@:26]1([H:53])[O:27][C@@:28]([C:29]([O:30][H:54])([H:55])[H:56])([H:57])[C@:31]([O:32][H:58])([H:59])[C@@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63]>>[O:1]=[P:2]([O:3][H:37])([O:4][H:38])[O:5][C:6]([C@@:7]1([H:39])[O:8][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])[C@:17]([O:18][P:22](=[O:21])([O:23][H:51])[O:24][H:52])([H:46])[C@@:19]1([O:20][H:47])[H:48])([H:49])[H:50].[H][O:25][C@@:26]1([H:53])[O:27][C@@:28]([C:29]([O:30][H:54])([H:55])[H:56])([H:57])[C@:31]([O:32][H:58])([H:59])[C@@:33]([O:34][H:60])([H:61])[C@:35]1([O:36][H:62])[H:63]