SMIRKS
[O:17]=[P:18]([O:19][H:48])([O:20][H:49])[O:21][P:22](=[O:23])([O:24][H:50])[O:25][P:26](=[O:27])([O:28][H:51])[O:29][C:30]([C@@:31]1([H:52])[O:32][C@:33]([N:34]2:[C:35]([H:53]):[N:36]:[C:37]3:[C:38](=[S:39]):[N:40]:[C:41]([H:54]):[N:42]([H:55]):[C:43]:2:3)([H:56])[C@@:44]([O:45][H:57])([H:58])[C@@:46]1([O:47][H:59])[H:60])([H:61])[H:62]>>[H]O[C@@]([H])([C@]([H])(O[H])C(=O)C([H])([H])O[P:18](=[O:17])([O:19][H:48])[O:20][H:49])[C@]([H])(O[H])C([H])([H])OP(=O)(O[H])O[H].[H][O:21][P:22](=[O:23])([O:24][H:50])[O:25][P:26](=[O:27])([O:28][H:51])[O:29][C:30]([C@@:31]1([H:52])[O:32][C@:33]([N:34]2:[C:35]([H:53]):[N:36]:[C:37]3:[C:38](=[S:39]):[N:40]:[C:41]([H:54]):[N:42]([H:55]):[C:43]:2:3)([H:56])[C@@:44]([O:45][H:57])([H:58])[C@@:46]1([O:47][H:59])[H:60])([H:61])[H:62]
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-C1072 - Reaction Operator C
[#15:18]-[#8:21]>>[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:18])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[H]-[#8:21]
EVODEX.1-N1319 - Reaction Operator N
[#8:17]=[#15:18](-[#8:19])(-[#8:20])-[#8:21]-[#15:22]>>[H]-[#8]-[#6@@](-[H])(-[#6@](-[H])(-[#8]-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#8]-[#15:18](=[#8:17])(-[#8:19])-[#8:20])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[H]-[#8:21]-[#15:22]
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-R3884
[O:17]=[P:18]([O:19][H:48])([O:20][H:49])[O:21][P:22](=[O:23])([O:24][H:50])[O:25][P:26](=[O:27])([O:28][H:51])[O:29][C:30]([C@@:31]1([H:52])[O:32][C@:33]([N:34]2:[C:35]([H:53]):[N:36]:[C:37]3:[C:38](=[S:39]):[N:40]:[C:41]([H:54]):[N:42]([H:55]):[C:43]:2:3)([H:56])[C@@:44]([O:45][H:57])([H:58])[C@@:46]1([O:47][H:59])[H:60])([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]>>[O:1]=[C:2]([C:3]([O:4][P:18](=[O:17])([O:19][H:48])[O:20][H:49])([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].[H][O:21][P:22](=[O:23])([O:24][H:50])[O:25][P:26](=[O:27])([O:28][H:51])[O:29][C:30]([C@@:31]1([H:52])[O:32][C@:33]([N:34]2:[C:35]([H:53]):[N:36]:[C:37]3:[C:38](=[S:39]):[N:40]:[C:41]([H:54]):[N:42]([H:55]):[C:43]:2:3)([H:56])[C@@:44]([O:45][H:57])([H:58])[C@@:46]1([O:47][H:59])[H:60])([H:61])[H:62]