SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:17]([O:16][C:15]([C@@:14]1([H:43])[O:13][C@:12]([N:11]2:[C:7]3:[N:6]:[C:4](=[O:5]):[N:3]([H:34]):[C:2]([N:1]([H:48])[H:49]):[C:8]:3:[N:9]:[C:10]:2[H:35])([H:36])[C@@:31]([O:32][H:46])([H:47])[C@@:29]1([O:30][H:44])[H:45])([H:41])[H:42])(=[O:18])[O:19][H:37].[H][O:33][H:50]>>[N:1]([C:2]1:[N:3]([H:34]):[C:4](=[O:5]):[N:6]:[C:7]2:[C:8]:1:[N:9]:[C:10]([H:35]):[N:11]:2[C@:12]1([H:36])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:37])[O:33][H:50])([H:41])[H:42])([H:43])[C@:29]([O:30][H:44])([H:45])[C@:31]1([O:32][H:46])[H:47])([H:48])[H:49]
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-C165 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:16].[#6@@:30]-[#6@@:28]).[H]-[#8:34]>>([#15:16]-[#8:34].[#6@:28]-[#6@:30])
EVODEX.1-N1850 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:17](-[#8:16])(=[#8:18])-[#8:19].[#8:32]-[#6@:31](-[#6@:12])(-[H:47])-[#6@@:29](-[#6@@:14])(-[#8:30])-[H:45]).[H]-[#8:33]-[H:50]>>([#8:16]-[#15:17](=[#8:18])(-[#8:19])-[#8:33]-[H:50].[#8:30]-[#6@@:29](-[#6@@:14])(-[H:45])-[#6@:31](-[#6@:12])(-[#8:32])-[H:47])
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-R6645
[N:1]([C:2]1:[N:3]([H:34]):[C:4](=[O:5]):[N:6]:[C:7]2:[C:8]:1:[N:9]:[C:10]([H:35]):[N:11]:2[C@:12]1([H:36])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:37])[O:20][P:21](=[O:22])([O:23][H:38])[O:24][P:25](=[O:26])([O:27][H:39])[O:28][H:40])([H:41])[H:42])([H:43])[C@:29]([O:30][H:44])([H:45])[C@:31]1([O:32][H:46])[H:47])([H:48])[H:49].[H][O:33][H:50]>>[N:1]([C:2]1:[N:3]([H:34]):[C:4](=[O:5]):[N:6]:[C:7]2:[C:8]:1:[N:9]:[C:10]([H:35]):[N:11]:2[C@:12]1([H:36])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:37])[O:33][H:50])([H:41])[H:42])([H:43])[C@:29]([O:30][H:44])([H:45])[C@:31]1([O:32][H:46])[H:47])([H:48])[H:49].[H][O:20][P:21](=[O:22])([O:23][H:38])[O:24][P:25](=[O:26])([O:27][H:39])[O:28][H:40]