SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:19][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:31])[C:9]([C:10]([C:11]([O:12][C:13]2:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:2[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:19][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:31])[C:9]([C:10]([C:11]([O:12][C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42]
Derived Operators
EVODEX.1-F43 - Elemental Balance
| O | -5 |
| C | -6 |
| H | -10 |
EVODEX.1-M30 - Mass Difference
-162.0528
EVODEX.1-E520 - Reaction Operator E
[#6:1]-[#16:2]-[#6@]1(-[H])-[#8]-[#6](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6]-1(-[#8]-[H])-[H]>>[#6:1]-[#16:2]-[H]
EVODEX.1-C533 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#16:18])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#16:18]
EVODEX.1-N677 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@@](-[H])(-[#16:18]-[#6:11])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H]>>[H]-[#16:18]-[#6:11]
Source Full Reactions
EVODEX.1-R5201
[O:2]=[S:3](=[O:4])([O:5][H:31])[O:6][N:7]=[C:8]([C:9]([C:10]([C:11]([O:12][C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42])[S:19][C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53].[H][O:1][H:54]>>[H][S:19][C:8](=[N:7][O:6][S:3](=[O:2])(=[O:4])[O:5][H:31])[C:9]([C:10]([C:11]([O:12][C:13]1:[C:14]([H:32]):[C:15]([H:33]):[C:16]([H:34]):[C:17]([H:35]):[C:18]:1[H:36])([H:37])[H:38])([H:39])[H:40])([H:41])[H:42].[O:1]([C@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53])[H:54]