SMIRKS
[O:15]=[C:16]1:[C:17]([H:40]):[C:18]([H:41]):[N:19]([C@:20]2([H:42])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:43])[O:28][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:46])[H:47])([H:48])[C@:33]([O:34][H:49])([H:50])[C@:35]2([O:36][H:51])[H:52]):[C:37](=[O:38]):[N:39]:1[H:53]>>[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:48])[O:21][C@:20]([N:19]2:[C:18]([H:41]):[C:17]([H:40]):[C:16](=[O:15]):[N:39]([H:53]):[C:37]:2=[O:38])([H:42])[C@@:35]([O:36][H:51])([H:52])[C@@:33]1([O:34][H:49])[H:50])([H:46])[H:47])(=[O:26])[O:27][H:43].[H]O[C@@]1([H])[C@@]([H])(OP(=O)(O[H])O[H])O[C@]([H])(C([H])([H])O[P:29](=[O:30])([O:31][H:44])[O:32][H:45])[C@@]1([H])O[H]
Derived Operators
EVODEX.1-F311 - Elemental Balance
| P | 1 |
| O | 8 |
| C | 5 |
| H | 11 |
EVODEX.1-M325 - Mass Difference
230.01913
EVODEX.1-E1084 - Reaction Operator E
[#15:16]-[#8:19]-[#15:20](=[#8:21])(-[#8:22])-[#8:23]>>[#15:16]-[#8:19]-[H].[#15:20](=[#8:21])(-[#8:22])(-[#8:23])-[#8]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]
EVODEX.1-C1082 - Reaction Operator C
([#8:28]-[#15:29].[#6@:33]-[#6@:35])>>([H]-[#8:28].[#6@@:35]-[#6@@:33]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15:29])-[#6@@]-1(-[H])-[#8]-[H]
EVODEX.1-N571 - Reaction Operator N
([#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:24]-[#6@@:23](-[#6@@:8])(-[H:55])-[#6@:25](-[#6@:6])(-[#8:26])-[H:57])>>([H]-[#8:14]-[#15:11].[#8:26]-[#6@:25](-[#6@:6])(-[H:57])-[#6@@:23](-[#6@@:8])(-[#8:24])-[H:55]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@]-1(-[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-R3989
[O:15]=[C:16]1:[C:17]([H:40]):[C:18]([H:41]):[N:19]([C@:20]2([H:42])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:43])[O:28][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:46])[H:47])([H:48])[C@:33]([O:34][H:49])([H:50])[C@:35]2([O:36][H:51])[H:52]):[C:37](=[O:38]):[N:39]:1[H:53].[H][O:10][C:9]([C@@:8]1([H:60])[O:7][C@@:6]([O:5][P:2](=[O:1])([O:3][H:54])[O:4][H:55])([H:56])[C@@:13]([O:14][H:63])([H:64])[C@@:11]1([O:12][H:61])[H:62])([H:58])[H:59]>>[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:48])[O:21][C@:20]([N:19]2:[C:18]([H:41]):[C:17]([H:40]):[C:16](=[O:15]):[N:39]([H:53]):[C:37]:2=[O:38])([H:42])[C@@:35]([O:36][H:51])([H:52])[C@@:33]1([O:34][H:49])[H:50])([H:46])[H:47])(=[O:26])[O:27][H:43].[O:1]=[P:2]([O:3][H:54])([O:4][H:55])[O:5][C@@:6]1([H:56])[O:7][C@@:8]([C:9]([O:10][P:29](=[O:30])([O:31][H:44])[O:32][H:45])([H:58])[H:59])([H:60])[C@:11]([O:12][H:61])([H:62])[C@:13]1([O:14][H:63])[H:64]