SMIRKS
[O:17]=[C:18]1:[N:19]([H:48]):[C:20]([H:49]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:50]):[N:26]:2[C@:27]1([H:51])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:52])[O:35][P:36](=[O:37])([O:38][H:53])[O:39][P:40](=[O:41])([O:42][H:54])[O:43][H:55])([H:56])[H:57])([H:58])[C@:44]([O:45][H:59])([H:60])[C@:46]1([O:47][H:61])[H:62]>>[H][O:39][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:58])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:49]):[N:19]([H:48]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:50])([H:51])[C@@:46]([O:47][H:61])([H:62])[C@@:44]1([O:45][H:59])[H:60])([H:56])[H:57])(=[O:33])[O:34][H:52])(=[O:37])[O:38][H:53].[H]O[C@@]([H])([C@]([H])(O[H])C(=O)C([H])([H])O[P:40](=[O:41])([O:42][H:54])[O:43][H:55])[C@]([H])(O[H])C([H])([H])OP(=O)(O[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-E1205 - Reaction Operator E
[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[#8]=[#6](-[#6](-[#8]-[#15:18](=[#8:17])(-[#8:19])-[#8:20])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6@](-[#8]-[H])(-[#6@](-[#8]-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H])-[H])-[H])-[H].[#8:21](-[#15:22])-[H]
EVODEX.1-C971 - Reaction Operator C
([#8:14]-[#15:15].[#6@:19]-[#6@:21])>>([H]-[#8:14].[#6@@:21]-[#6@@:19]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:15])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]
EVODEX.1-N1213 - Reaction Operator N
([#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:20]-[#6@@:19](-[#6@@:8])(-[H:52])-[#6@:21](-[#6@:6])(-[#8:22])-[H:54])>>([H]-[#8:14]-[#15:11].[#8:22]-[#6@:21](-[#6@:6])(-[H:54])-[#6@@:19](-[#6@@:8])(-[#8:20])-[H:52]).[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18])-[#6@](-[H])(-[#8]-[H])-[#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-R4079
[O:17]=[C:18]1:[N:19]([H:48]):[C:20]([H:49]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:50]):[N:26]:2[C@:27]1([H:51])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:52])[O:35][P:36](=[O:37])([O:38][H:53])[O:39][P:40](=[O:41])([O:42][H:54])[O:43][H:55])([H:56])[H:57])([H:58])[C@:44]([O:45][H:59])([H:60])[C@:46]1([O:47][H:61])[H:62].[H][O:16][C:15]([C@:13]([C@:11]([C@@:9]([C:2](=[O:1])[C:3]([O:4][P:5](=[O:6])([O:7][H:63])[O:8][H:64])([H:65])[H:66])([O:10][H:67])[H:75])([O:12][H:68])[H:74])([O:14][H:69])[H:73])([H:71])[H:72]>>[H][O:39][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:58])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:49]):[N:19]([H:48]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:50])([H:51])[C@@:46]([O:47][H:61])([H:62])[C@@:44]1([O:45][H:59])[H:60])([H:56])[H:57])(=[O:33])[O:34][H:52])(=[O:37])[O:38][H:53].[O:1]=[C:2]([C:3]([O:4][P:5](=[O:6])([O:7][H:63])[O:8][H:64])([H:65])[H:66])[C@@:9]([O:10][H:67])([C@:11]([O:12][H:68])([C@:13]([O:14][H:69])([C:15]([O:16][P:40](=[O:41])([O:42][H:54])[O:43][H:55])([H:71])[H:72])[H:73])[H:74])[H:75]
EVODEX.1-R3888
[O:17]=[C:18]1:[N:19]([H:48]):[C:20]([H:49]):[N:21]:[C:22]2:[C:23]:1:[N:24]:[C:25]([H:50]):[N:26]:2[C@:27]1([H:51])[O:28][C@@:29]([C:30]([O:31][P:32](=[O:33])([O:34][H:52])[O:35][P:36](=[O:37])([O:38][H:53])[O:39][P:40](=[O:41])([O:42][H:54])[O:43][H:55])([H:56])[H:57])([H:58])[C@:44]([O:45][H:59])([H:60])[C@:46]1([O:47][H:61])[H:62].[H][O:4][C:3]([C:2](=[O:1])[C@@:5]([O:6][H:66])([C@:7]([O:8][H:67])([C@:9]([O:10][H:68])([C:11]([O:12][P:13](=[O:14])([O:15][H:69])[O:16][H:70])([H:71])[H:72])[H:73])[H:74])[H:75])([H:64])[H:65]>>[H][O:39][P:36]([O:35][P:32]([O:31][C:30]([C@@:29]1([H:58])[O:28][C@:27]([N:26]2:[C:22]3:[N:21]:[C:20]([H:49]):[N:19]([H:48]):[C:18](=[O:17]):[C:23]:3:[N:24]:[C:25]:2[H:50])([H:51])[C@@:46]([O:47][H:61])([H:62])[C@@:44]1([O:45][H:59])[H:60])([H:56])[H:57])(=[O:33])[O:34][H:52])(=[O:37])[O:38][H:53].[O:1]=[C:2]([C:3]([O:4][P:40](=[O:41])([O:42][H:54])[O:43][H:55])([H:64])[H:65])[C@@:5]([O:6][H:66])([C@:7]([O:8][H:67])([C@:9]([O:10][H:68])([C:11]([O:12][P:13](=[O:14])([O:15][H:69])[O:16][H:70])([H:71])[H:72])[H:73])[H:74])[H:75]