SMIRKS
[O:12]=[C:13]1:[N:14]([H:43]):[C:15]([H:44]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:45]):[N:21]:2[C@:22]1([H:46])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:47])[O:30][P:31](=[O:32])([O:33][H:48])[O:34][P:35](=[O:36])([O:37][H:49])[O:38][H:50])([H:51])[H:52])([H:53])[C@:39]([O:40][H:54])([H:55])[C@:41]1([O:42][H:56])[H:57]>>[H][O:34][P:31]([O:30][P:27]([O:26][C:25]([C@@:24]1([H:53])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:44]):[N:14]([H:43]):[C:13](=[O:12]):[C:18]:3:[N:19]:[C:20]:2[H:45])([H:46])[C@@:41]([O:42][H:56])([H:57])[C@@:39]1([O:40][H:54])[H:55])([H:51])[H:52])(=[O:28])[O:29][H:47])(=[O:32])[O:33][H:48].[H]O[C@@]([H])(C(=O)O[P:35](=[O:36])([O:37][H:49])[O:38][H:50])C([H])([H])OP(=O)(O[H])O[H]
Derived Operators
EVODEX.1-F237 - Elemental Balance
| P | 1 |
| O | 7 |
| C | 3 |
| H | 7 |
EVODEX.1-M295 - Mass Difference
185.99291
EVODEX.1-E960 - Reaction Operator E
[#15:17]-[#8:20]-[#15:21](=[#8:22])(-[#8:23])-[#8:24]>>[#15:17]-[#8:20]-[H].[#15:21](=[#8:22])(-[#8:23])(-[#8:24])-[#8]-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C1096 - Reaction Operator C
([#8:34]-[#15:35].[#6@:39]-[#6@:41])>>([H]-[#8:34].[#6@@:41]-[#6@@:39]).[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:35])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-N1344 - Reaction Operator N
([#15:31]-[#8:34]-[#15:35](=[#8:36])(-[#8:37])-[#8:38].[#8:40]-[#6@@:39](-[#6@@:24])(-[H:55])-[#6@:41](-[#6@:22])(-[#8:42])-[H:57])>>([H]-[#8:34]-[#15:31].[#8:42]-[#6@:41](-[#6@:22])(-[H:57])-[#6@@:39](-[#6@@:24])(-[#8:40])-[H:55]).[H]-[#8]-[#6@@](-[H])(-[#6](=[#8])-[#8]-[#15:35](=[#8:36])(-[#8:37])-[#8:38])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4175
[O:12]=[C:13]1:[N:14]([H:43]):[C:15]([H:44]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:45]):[N:21]:2[C@:22]1([H:46])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:47])[O:30][P:31](=[O:32])([O:33][H:48])[O:34][P:35](=[O:36])([O:37][H:49])[O:38][H:50])([H:51])[H:52])([H:53])[C@:39]([O:40][H:54])([H:55])[C@:41]1([O:42][H:56])[H:57].[H][O:3][C:2](=[O:1])[C@:4]([O:5][H:59])([C:6]([O:7][P:8](=[O:9])([O:10][H:60])[O:11][H:61])([H:62])[H:63])[H:64]>>[H][O:34][P:31]([O:30][P:27]([O:26][C:25]([C@@:24]1([H:53])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:44]):[N:14]([H:43]):[C:13](=[O:12]):[C:18]:3:[N:19]:[C:20]:2[H:45])([H:46])[C@@:41]([O:42][H:56])([H:57])[C@@:39]1([O:40][H:54])[H:55])([H:51])[H:52])(=[O:28])[O:29][H:47])(=[O:32])[O:33][H:48].[O:1]=[C:2]([O:3][P:35](=[O:36])([O:37][H:49])[O:38][H:50])[C@:4]([O:5][H:59])([C:6]([O:7][P:8](=[O:9])([O:10][H:60])[O:11][H:61])([H:62])[H:63])[H:64]