Hydrochloric Acid → (2-Isobutylsulfanyl-5-methanesulfonyl-phenyl)-[4-(5-trifluoromethyl-thiazol-2-yl)-piperazin-1-yl]-methanone
Reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[S:5][c:6]1[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]1.[ClH:19].[F:20][C:21]([c:22]1[cH:23][n:24][c:25]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[s:26]1)([F:33])[F:34]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[S:5][c:6]1[c:7]([C:8](=[O:10])[N:30]2[CH2:29][CH2:28][N:27]([c:25]3[n:24][cH:23][c:22]([C:21]([F:20])([F:33])[F:34])[s:26]3)[CH2:32][CH2:31]2)[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]1Participants
4
Sources & evidence
- ORD record
- ord-a09feaf0c71849a1b5b90e4d5702cceb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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