Hydrochloric Acid → 1-[4-(5-Fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-[(5-phenyl-isoxazol-3-ylmethyl)-amino]-ethanone
Reaction equation
[ClH:24].[K+:1].[K+:2].[NH2:25][CH2:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][N:32]([C:35]([c:36]2[c:37]([C:43]([F:44])([F:45])[F:46])[cH:38][cH:39][c:40]([F:42])[cH:41]2)=[O:47])[CH2:33][CH2:34]1.[O-:3][C:4]([O-:5])=[O:6].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48].[c:7]1(-[c:13]2[cH:14][c:15]([CH2:18][O:19][S:20]([CH3:21])(=[O:22])=[O:23])[n:16][o:17]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[c:7]1(-[c:13]2[cH:14][c:15]([CH2:18][NH:25][CH2:26][C:27](=[O:28])[N:29]3[CH2:30][CH2:31][N:32]([C:35]([c:36]4[c:37]([C:43]([F:44])([F:45])[F:46])[cH:38][cH:39][c:40]([F:42])[cH:41]4)=[O:47])[CH2:33][CH2:34]3)[n:16][o:17]2)[cH:8][cH:9][cH:10][cH:11][cH:12]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-05f086049e7149509ce7345620882e0d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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