SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])O[P:13]([O:12][C@:11]1([H:40])[C@:9]([O:10][H:34])([H:35])[C:8]([H:32])([H:33])[C@@:7]([N:6]2:[C:4](=[O:5]):[N:3]([H:30]):[C:2](=[N:1][H:43]):[C:27]([O:28][H:42]):[C:26]:2[H:41])([H:31])[O:25]1)(=[O:14])[O:15][H:36].[H][O:29][H:44]>>[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:31])[C:8]([H:32])([H:33])[C@@:9]([O:10][H:34])([H:35])[C@:11]([O:12][P:13](=[O:14])([O:15][H:36])[O:29][H:44])([H:40])[O:25]2):[C:26]([H:41]):[C:27]:1[O:28][H:42])[H:43]
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-N1842 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:13](-[#8:12]-[#6@:11]-[#6@:9](-[#8:10])(-[H:35])-[#6:8])(=[#8:14])-[#8:15].[H]-[#8:29]-[H:44]>>[#6:8]-[#6@@:9](-[#8:10])(-[H:35])-[#6@:11]-[#8:12]-[#15:13](=[#8:14])(-[#8:15])-[#8:29]-[H:44]
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-R6607
[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:31])[C:8]([H:32])([H:33])[C@@:9]([O:10][H:34])([H:35])[C@:11]([O:12][P:13](=[O:14])([O:15][H:36])[O:16][P:17](=[O:18])([O:19][H:37])[O:20][P:21](=[O:22])([O:23][H:38])[O:24][H:39])([H:40])[O:25]2):[C:26]([H:41]):[C:27]:1[O:28][H:42])[H:43].[H][O:29][H:44]>>[N:1](=[C:2]1:[N:3]([H:30]):[C:4](=[O:5]):[N:6]([C@@:7]2([H:31])[C:8]([H:32])([H:33])[C@@:9]([O:10][H:34])([H:35])[C@:11]([O:12][P:13](=[O:14])([O:15][H:36])[O:29][H:44])([H:40])[O:25]2):[C:26]([H:41]):[C:27]:1[O:28][H:42])[H:43].[H][O:16][P:17](=[O:18])([O:19][H:37])[O:20][P:21](=[O:22])([O:23][H:38])[O:24][H:39]