SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:12]([O:11][C:10]([C@:9]1([H:43])[C@:7]([O:8][H:35])([H:36])[C:6]([H:33])([H:34])[C@@:5]([N:4]2:[C:3]([H:31]):[C:2]([C:1]([H:45])([H:46])[H:47]):[C:28](=[O:29]):[N:27]([H:44]):[C:25]:2=[O:26])([H:32])[O:24]1)([H:41])[H:42])(=[O:13])[O:14][H:37].[H][O:30][H:48]>>[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])([H:34])[C@@:7]([O:8][H:35])([H:36])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:37])[O:30][H:48])([H:41])[H:42])([H:43])[O:24]2):[C:25](=[O:26]):[N:27]([H:44]):[C:28]:1=[O:29])([H:45])([H:46])[H:47]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E713 - Reaction Operator E
[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:31](-[H:48])-[H]>>[#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:31]-[H:48]
EVODEX.1-C478 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16].[#6@:11]).[H]-[#8:32]>>([#15:16]-[#8:32].[#6@@:11])
EVODEX.1-N1410 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[#8:12]-[#6@@:11](-[#6@:13])(-[H:38])-[#6:10]).[H]-[#8:32]-[H:49]>>([#6:10]-[#6@@:11](-[#8:12])(-[H:38])-[#6@:13].[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:32]-[H:49])
EVODEX.1-Em62 - Reaction Operator Em
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
EVODEX.1-Nm74 - Reaction Operator Nm
[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]
Source Full Reactions
EVODEX.1-R6636
[C:1]([C:2]1:[C:3]([H:32]):[N:4]([C@@:5]2([H:33])[C:6]([H:34])([H:35])[C@@:7]([O:8][H:36])([H:37])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:38])[O:15][P:16](=[O:17])([O:18][H:39])[O:19][P:20](=[O:21])([O:22][H:40])[O:23][H:41])([H:42])[H:43])([H:44])[O:24]2):[C:25](=[O:26]):[N:27]([H:45]):[C:28]:1=[O:29])([H:46])([H:47])[H:48].[H][O:30][H:49].[H][O:31][H:51]>>[C:1]([C:2]1:[C:3]([H:32]):[N:4]([C@@:5]2([H:33])[C:6]([H:34])([H:35])[C@@:7]([O:8][H:36])([H:37])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:38])[O:30][H:49])([H:42])[H:43])([H:44])[O:24]2):[C:25](=[O:26]):[N:27]([H:45]):[C:28]:1=[O:29])([H:46])([H:47])[H:48].[H][O:15][P:16](=[O:17])([O:18][H:39])[O:31][H:51].[H][O:19][P:20](=[O:21])([O:22][H:40])[O:23][H:41]
EVODEX.1-R6608
[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])([H:34])[C@@:7]([O:8][H:35])([H:36])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:37])[O:15][P:16](=[O:17])([O:18][H:38])[O:19][P:20](=[O:21])([O:22][H:39])[O:23][H:40])([H:41])[H:42])([H:43])[O:24]2):[C:25](=[O:26]):[N:27]([H:44]):[C:28]:1=[O:29])([H:45])([H:46])[H:47].[H][O:30][H:48]>>[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])([H:34])[C@@:7]([O:8][H:35])([H:36])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:37])[O:30][H:48])([H:41])[H:42])([H:43])[O:24]2):[C:25](=[O:26]):[N:27]([H:44]):[C:28]:1=[O:29])([H:45])([H:46])[H:47].[H][O:15][P:16](=[O:17])([O:18][H:38])[O:19][P:20](=[O:21])([O:22][H:39])[O:23][H:40]