SMIRKS
[C:1]([S:2][C:3]([C:4]([O:5][H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40]>>[H]C([H])([H])[S+:2]([C:1]([H:38])([H:39])[H:40])[C:3]([C:4]([O:5][H:33])([H:34])[H:35])([H:36])[H:37]
Derived Operators
EVODEX.1-M269 - Mass Difference
15.02349
EVODEX.1-E881 - Reaction Operator E
[#6:1]-[#16:2]-[#6:3]>>[#6:1]-[#16:2](-[#6:3])-[#6](-[H])(-[H])-[H]
EVODEX.1-N281 - Reaction Operator N
[#6:1]-[#16:2]-[#6:3]>>[H]-[#6](-[H])(-[H])-[#16:2](-[#6:1])-[#6:3]
EVODEX.1-Em406 - Reaction Operator Em
[#6:1]-[#16:2]-[#6:3]>>[H]-[#6](-[H])(-[H])-[#16:2](-[#6:1])-[#6:3]
EVODEX.1-Nm366 - Reaction Operator Nm
[#6:1]-[#16:2]-[#6:3]>>[H]-[#6](-[H])(-[H])-[#16:2](-[#6:1])-[#6:3]
Source Full Reactions
EVODEX.1-R1823
[C:1]([S:2][C:3]([C:4]([O:5][H:33])([H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[C:6]([S+:7]([C:8]([C:9]([C@:10]([N:11]([H:41])[H:42])([C:12](=[O:13])[O:14][H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[C:15]([C@@:16]1([H:49])[O:17][C@:18]([N:19]2:[C:20]([H:50]):[N:21]:[C:22]3:[C:23]([N:24]([H:51])[H:52]):[N:25]:[C:26]([H:53]):[N:27]:[C:28]:2:3)([H:54])[C@@:29]([O:30][H:55])([H:56])[C@@:31]1([O:32][H:57])[H:58])([H:59])[H:60])([H:61])([H:62])[H:63]>>[C:1]([S+:2]([C:3]([C:4]([O:5][H:33])([H:34])[H:35])([H:36])[H:37])[C:6]([H:61])([H:62])[H:63])([H:38])([H:39])[H:40].[S:7]([C:8]([C:9]([C@:10]([N:11]([H:41])[H:42])([C:12](=[O:13])[O:14][H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[C:15]([C@@:16]1([H:49])[O:17][C@:18]([N:19]2:[C:20]([H:50]):[N:21]:[C:22]3:[C:23]([N:24]([H:51])[H:52]):[N:25]:[C:26]([H:53]):[N:27]:[C:28]:2:3)([H:54])[C@@:29]([O:30][H:55])([H:56])[C@@:31]1([O:32][H:57])[H:58])([H:59])[H:60]