SMIRKS
[H][S:4][C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])=[N:5][O:6][H:44].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:25]1([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]1([O:35][H:64])[H:65]>>[C:1]([C:2]([C:3]([S:4][C@@:25]1([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]1([O:35][H:64])[H:65])=[N:5][O:6][H:44])([H:45])[H:46])([H:47])([H:48])[H:49]
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1112 - Reaction Operator E
[#16:22](-[#6@:21])-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:43](-[H:84])(-[#8:44])-[#6@:52])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#16:22](-[#6@:21])-[#6@:43](-[H:84])(-[#8:44])-[#6@:52]
EVODEX.1-C382 - Reaction Operator C
[H]-[#16:7].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:28]>>[#16:7]-[#6@@:28]
EVODEX.1-N453 - Reaction Operator N
[H]-[#16:7]-[#6:6].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:28](-[H:62])(-[#8:29])-[#6@:37]>>[#6:6]-[#16:7]-[#6@@:28](-[H:62])(-[#8:29])-[#6@:37]
EVODEX.1-Em497 - Reaction Operator Em
[H]-[#16:7]-[#6:6].[#15]-[#8]-[#6:28](-[#8:29])-[#6:37]>>[#6:6]-[#16:7]-[#6:28](-[#8:29])-[#6:37]
EVODEX.1-Nm448 - Reaction Operator Nm
[H]-[#16:7]-[#6:6].[#15]-[#8]-[#6:28](-[#8:29])-[#6:37]>>[#6:6]-[#16:7]-[#6:28](-[#8:29])-[#6:37]
Source Full Reactions
EVODEX.1-R3054
[H][S:4][C:3]([C:2]([C:1]([H:47])([H:48])[H:49])([H:45])[H:46])=[N:5][O:6][H:44].[O:7]=[C:8]1:[C:9]([H:50]):[C:10]([H:51]):[N:11]([C@:12]2([H:52])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:53])[O:20][P:21](=[O:22])([O:23][H:54])[O:24][C@@:25]3([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]3([O:35][H:64])[H:65])([H:66])[H:67])([H:68])[C@:36]([O:37][H:69])([H:70])[C@:38]2([O:39][H:71])[H:72]):[C:40](=[O:41]):[N:42]:1[H:73]>>[C:1]([C:2]([C:3]([S:4][C@@:25]1([H:55])[O:26][C@@:27]([C:28]([O:29][H:56])([H:57])[H:58])([H:59])[C@:30]([O:31][H:60])([H:61])[C@@:32]([O:33][H:62])([H:63])[C@:34]1([O:35][H:64])[H:65])=[N:5][O:6][H:44])([H:45])[H:46])([H:47])([H:48])[H:49].[H][O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:68])[O:13][C@:12]([N:11]2:[C:10]([H:51]):[C:9]([H:50]):[C:8](=[O:7]):[N:42]([H:73]):[C:40]:2=[O:41])([H:52])[C@@:38]([O:39][H:71])([H:72])[C@@:36]1([O:37][H:69])[H:70])([H:66])[H:67])(=[O:18])[O:19][H:53])(=[O:22])[O:23][H:54]