SMIRKS
[H]OP(=O)(O[H])OP(=O)(O[H])[O:19][P:16]([O:15][C:14]([C@@:13]1([H:44])[O:12][C@@:11]([N:10]2:[C:8](=[O:9]):[N:7]([H:36]):[C:6]3:[C:4](=[O:5]):[N:3]([H:35]):[C:2](=[N:1][H:50]):[N:33]([H:49]):[C:32]:3:2)([H:37])[C@@:30]([O:31][H:47])([H:48])[C@@:28]1([O:29][H:45])[H:46])([H:42])[H:43])(=[O:17])[O:18][H:38]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:44])[O:12][C@@:11]([N:10]2:[C:8](=[O:9]):[N:7]([H:36]):[C:6]3:[C:4](=[O:5]):[N:3]([H:35]):[C:2](=[N:1][H:50]):[N:33]([H:49]):[C:32]:3:2)([H:37])[C@@:30]([O:31][H:47])([H:48])[C@@:28]1([O:29][H:45])[H:46])([H:42])[H:43])(=[O:17])[O:18][H:38]
Derived Operators
EVODEX.1-F115 - Elemental Balance
| P | -2 |
| O | -6 |
| H | -2 |
EVODEX.1-M239 - Mass Difference
-159.93266
EVODEX.1-E731 - Reaction Operator E
[#15:16]-[#8:19]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]>>[#15:16]-[#8:19]-[H]
EVODEX.1-C473 - Reaction Operator C
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:11]>>[H]-[#8:11]
EVODEX.1-N577 - Reaction Operator N
[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:11]-[#15:12]>>[H]-[#8:11]-[#15:12]
EVODEX.1-Em35 - Reaction Operator Em
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Nm37 - Reaction Operator Nm
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
Source Full Reactions
EVODEX.1-R6643
[N:1](=[C:2]1:[N:3]([H:35]):[C:4](=[O:5]):[C:6]2:[N:7]([H:36]):[C:8](=[O:9]):[N:10]([C@@:11]3([H:37])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:38])[O:19][P:20](=[O:21])([O:22][H:39])[O:23][P:24](=[O:25])([O:26][H:40])[O:27][H:41])([H:42])[H:43])([H:44])[C@:28]([O:29][H:45])([H:46])[C@:30]3([O:31][H:47])[H:48]):[C:32]:2:[N:33]:1[H:49])[H:50].[H][O:34][H:51]>>[H][O:19][P:16]([O:15][C:14]([C@@:13]1([H:44])[O:12][C@@:11]([N:10]2:[C:8](=[O:9]):[N:7]([H:36]):[C:6]3:[C:4](=[O:5]):[N:3]([H:35]):[C:2](=[N:1][H:50]):[N:33]([H:49]):[C:32]:3:2)([H:37])[C@@:30]([O:31][H:47])([H:48])[C@@:28]1([O:29][H:45])[H:46])([H:42])[H:43])(=[O:17])[O:18][H:38].[P:20](=[O:21])([O:22][H:39])([O:23][P:24](=[O:25])([O:26][H:40])[O:27][H:41])[O:34][H:51]