SMIRKS
[O:17]=[C:18]1:[N:19]([H:44]):[C:20]([H:45]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:46]):[N:26]:2[C@:27]1([H:47])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:48])[O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:51])[H:52])([H:53])[C@:40]([O:41][H:54])([H:55])[C@:42]1([O:43][H:56])[H:57]>>[H][O:35][P:32]([O:31][C:30]([C@@:29]1([H:53])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:45]):[N:19]([H:44]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:46])([H:47])[C@@:42]([O:43][H:56])([H:57])[C@@:40]1([O:41][H:54])[H:55])([H:51])[H:52])(=[O:33])[O:34][H:48].[H]OC1(C([H])([H])O[P:36](=[O:37])([O:38][H:49])[O:39][H:50])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
Derived Operators
EVODEX.1-F399 - Elemental Balance
| P | 1 |
| O | 9 |
| C | 6 |
| H | 13 |
EVODEX.1-M157 - Mass Difference
260.02969
EVODEX.1-E1206 - Reaction Operator E
[#15:22]-[#8:25]-[#15:26](=[#8:27])(-[#8:28])-[#8:29]>>[#15:22]-[#8:25]-[H].[#8]=[#15](-[#8]-[H])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6](-[#8]-[H])(-[#6](-[#8]-[#15:26](=[#8:27])(-[#8:28])-[#8:29])(-[H])-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H]
EVODEX.1-C970 - Reaction Operator C
([#8:35]-[#15:36].[#6@:40]-[#6@:42])>>([H]-[#8:35].[#6@@:42]-[#6@@:40]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:36])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]
EVODEX.1-N1212 - Reaction Operator N
([#15:32]-[#8:35]-[#15:36](=[#8:37])(-[#8:38])-[#8:39].[#8:41]-[#6@@:40](-[#6@@:29])(-[H:55])-[#6@:42](-[#6@:27])(-[#8:43])-[H:57])>>([H]-[#8:35]-[#15:32].[#8:43]-[#6@:42](-[#6@:27])(-[H:57])-[#6@@:40](-[#6@@:29])(-[#8:41])-[H:55]).[H]-[#8]-[#6]1(-[#6](-[H])(-[H])-[#8]-[#15:36](=[#8:37])(-[#8:38])-[#8:39])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[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-R3932
[O:17]=[C:18]1:[N:19]([H:44]):[C:20]([H:45]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:46]):[N:26]:2[C@:27]1([H:47])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:48])[O:35][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:51])[H:52])([H:53])[C@:40]([O:41][H:54])([H:55])[C@:42]1([O:43][H:56])[H:57].[H][O:12][C:11]([C:9]1([O:10][H:61])[O:8][C@@:7]([C:6]([O:5][P:2](=[O:1])([O:3][H:58])[O:4][H:59])([H:69])[H:70])([H:60])[C@:15]([O:16][H:67])([H:68])[C@@:13]1([O:14][H:65])[H:66])([H:63])[H:64]>>[H][O:35][P:32]([O:31][C:30]([C@@:29]1([H:53])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:45]):[N:19]([H:44]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:46])([H:47])[C@@:42]([O:43][H:56])([H:57])[C@@:40]1([O:41][H:54])[H:55])([H:51])[H:52])(=[O:33])[O:34][H:48].[O:1]=[P:2]([O:3][H:58])([O:4][H:59])[O:5][C:6]([C@@:7]1([H:60])[O:8][C:9]([O:10][H:61])([C:11]([O:12][P:36](=[O:37])([O:38][H:49])[O:39][H:50])([H:63])[H:64])[C@:13]([O:14][H:65])([H:66])[C@@:15]1([O:16][H:67])[H:68])([H:69])[H:70]