SMIRKS
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])([S:18][C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])=[N:12][O:13][S:14](=[O:15])(=[O:16])[O:17][H:31])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[H][S:18][C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])=[N:12][O:13][S:14](=[O:15])(=[O:16])[O:17][H:31]
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-R5205
[C:1]([S:2][C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11](=[N:12][O:13][S:14](=[O:15])(=[O:16])[O:17][H:31])[S:18][C@:19]1([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])([H:60])[H:61].[H][O:30][H:62]>>[C@@:19]1([O:30][H:62])([H:32])[O:20][C@@:21]([C:22]([O:23][H:33])([H:34])[H:35])([H:36])[C@:24]([O:25][H:37])([H:38])[C@@:26]([O:27][H:39])([H:40])[C@:28]1([O:29][H:41])[H:42].[H][S:18][C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([S:2][C:1]([H:59])([H:60])[H:61])([H:57])[H:58])([H:55])[H:56])([H:53])[H:54])([H:51])[H:52])([H:49])[H:50])([H:47])[H:48])([H:45])[H:46])([H:43])[H:44])=[N:12][O:13][S:14](=[O:15])(=[O:16])[O:17][H:31]