SMIRKS
[O:15]=[C:16]1:[C:17]([H:44]):[C:18]([H:45]):[N:19]([C@:20]2([H:46])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:47])[O:28][P:29](=[O:30])([O:31][H:48])[O:32][P:33](=[O:34])([O:35][H:49])[O:36][H:50])([H:51])[H:52])([H:53])[C@:37]([O:38][H:54])([H:55])[C@:39]2([O:40][H:56])[H:57]):[C:41](=[O:42]):[N:43]:1[H:58]>>[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:53])[O:21][C@:20]([N:19]2:[C:18]([H:45]):[C:17]([H:44]):[C:16](=[O:15]):[N:43]([H:58]):[C:41]:2=[O:42])([H:46])[C@@:39]([O:40][H:56])([H:57])[C@@:37]1([O:38][H:54])[H:55])([H:51])[H:52])(=[O:26])[O:27][H:47].[H]O[C@@]1([H])[C@@]([H])(O[P:29](=[O:30])([O:31][H:48])[O:32][P:33](=[O:34])([O:35][H:49])[O:36][H:50])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[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-C976 - Reaction Operator C
([#8:14]-[#15:15].[#6@:23]-[#6@:25])>>([H]-[#8:14].[#6@@:25]-[#6@@:23]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[#15:15])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#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-R4317
[O:15]=[C:16]1:[C:17]([H:44]):[C:18]([H:45]):[N:19]([C@:20]2([H:46])[O:21][C@@:22]([C:23]([O:24][P:25](=[O:26])([O:27][H:47])[O:28][P:29](=[O:30])([O:31][H:48])[O:32][P:33](=[O:34])([O:35][H:49])[O:36][H:50])([H:51])[H:52])([H:53])[C@:37]([O:38][H:54])([H:55])[C@:39]2([O:40][H:56])[H:57]):[C:41](=[O:42]):[N:43]:1[H:58].[H][O:10][C:9]1([H:63])[O:8][C@@:7]([C:6]([O:5][P:2](=[O:1])([O:3][H:59])[O:4][H:60])([H:68])[H:69])([H:61])[C@:13]([O:14][H:66])([H:67])[C@:11]1([O:12][H:64])[H:65]>>[H][O:28][P:25]([O:24][C:23]([C@@:22]1([H:53])[O:21][C@:20]([N:19]2:[C:18]([H:45]):[C:17]([H:44]):[C:16](=[O:15]):[N:43]([H:58]):[C:41]:2=[O:42])([H:46])[C@@:39]([O:40][H:56])([H:57])[C@@:37]1([O:38][H:54])[H:55])([H:51])[H:52])(=[O:26])[O:27][H:47].[O:1]=[P:2]([O:3][H:59])([O:4][H:60])[O:5][C:6]([C@@:7]1([H:61])[O:8][C@@:9]([O:10][P:29](=[O:30])([O:31][H:48])[O:32][P:33](=[O:34])([O:35][H:49])[O:36][H:50])([H:63])[C@@:11]([O:12][H:64])([H:65])[C@@:13]1([O:14][H:66])[H:67])([H:68])[H:69]