SMIRKS
[H]OP(=O)(O[H])O[P:6](=[O:7])([O:8][H:42])[O:9][C:10]([C@@:11]1([H:43])[O:12][C@:13]([N:14]2:[C:15]([H:44]):[N:16]:[C:17]3:[C:18]:2:[N:19]:[C:20]([H:45]):[N:21]2:[C:22]([H:46]):[C:23]([H:47]):[N:24]:[C:25]:3:2)([H:48])[C@@:26]([O:27][H:49])([H:50])[C@@:28]1([O:29][H:51])[H:52])([H:53])[H:54].[H][O:30][C:31]([C@@:32]1([H:55])[O:33][C@:34]([O:35][H:56])([H:57])[C@@:36]([O:37][H:58])([H:59])[C@@:38]1([O:39][H:60])[H:61])([H:62])[H:63]>>[P:6](=[O:7])([O:8][H:42])([O:9][C:10]([C@@:11]1([H:43])[O:12][C@:13]([N:14]2:[C:15]([H:44]):[N:16]:[C:17]3:[C:18]:2:[N:19]:[C:20]([H:45]):[N:21]2:[C:22]([H:46]):[C:23]([H:47]):[N:24]:[C:25]:3:2)([H:48])[C@@:26]([O:27][H:49])([H:50])[C@@:28]1([O:29][H:51])[H:52])([H:53])[H:54])[O:30][C:31]([C@@:32]1([H:55])[O:33][C@:34]([O:35][H:56])([H:57])[C@@:36]([O:37][H:58])([H:59])[C@@:38]1([O:39][H:60])[H:61])([H:62])[H:63]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E857 - Reaction Operator E
[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#15:6](=[#8:7])(-[#8:8])-[#8:9].[#8:19](-[#6:20])-[H]>>[#15:6](=[#8:7])(-[#8:8])(-[#8:9])-[#8:19]-[#6:20]
EVODEX.1-C1115 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:6].[H]-[#8:30]>>[#15:6]-[#8:30]
EVODEX.1-N1374 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:6](=[#8:7])(-[#8:8])-[#8:9].[H]-[#8:30]-[#6:31]>>[#15:6](=[#8:7])(-[#8:8])(-[#8:9])-[#8:30]-[#6:31]
EVODEX.1-Em5 - Reaction Operator Em
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
EVODEX.1-Nm6 - Reaction Operator Nm
[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]
Source Full Reactions
EVODEX.1-R6614
[O:1]=[P:2]([O:3][H:40])([O:4][H:41])[O:5][P:6](=[O:7])([O:8][H:42])[O:9][C:10]([C@@:11]1([H:43])[O:12][C@:13]([N:14]2:[C:15]([H:44]):[N:16]:[C:17]3:[C:18]:2:[N:19]:[C:20]([H:45]):[N:21]2:[C:22]([H:46]):[C:23]([H:47]):[N:24]:[C:25]:3:2)([H:48])[C@@:26]([O:27][H:49])([H:50])[C@@:28]1([O:29][H:51])[H:52])([H:53])[H:54].[H][O:30][C:31]([C@@:32]1([H:55])[O:33][C@:34]([O:35][H:56])([H:57])[C@@:36]([O:37][H:58])([H:59])[C@@:38]1([O:39][H:60])[H:61])([H:62])[H:63]>>[H][O:5][P:2](=[O:1])([O:3][H:40])[O:4][H:41].[P:6](=[O:7])([O:8][H:42])([O:9][C:10]([C@@:11]1([H:43])[O:12][C@:13]([N:14]2:[C:15]([H:44]):[N:16]:[C:17]3:[C:18]:2:[N:19]:[C:20]([H:45]):[N:21]2:[C:22]([H:46]):[C:23]([H:47]):[N:24]:[C:25]:3:2)([H:48])[C@@:26]([O:27][H:49])([H:50])[C@@:28]1([O:29][H:51])[H:52])([H:53])[H:54])[O:30][C:31]([C@@:32]1([H:55])[O:33][C@:34]([O:35][H:56])([H:57])[C@@:36]([O:37][H:58])([H:59])[C@@:38]1([O:39][H:60])[H:61])([H:62])[H:63]