Ethanol → 1-[1-{3-[4-(6-Chloro-benzothiazol-2-yl)-piperazin-1-yl]-2-hydroxy-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
Reaction equation
[CH3:43][CH2:44][OH:45].[Cl:27][c:28]1[cH:29][c:30]2[c:31]([n:32][c:33]([N:35]3[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]3)[s:34]2)[cH:41][cH:42]1.[O:1]1[CH:2]([CH2:4][n:5]2[n:6][c:7](-[c:17]3[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[c:8]3[c:13]2[CH2:12][CH2:11][N:10]([C:14]([CH3:15])=[O:16])[CH2:9]3)[CH2:3]1>>[OH:1][CH:2]([CH2:3][N:38]1[CH2:37][CH2:36][N:35]([c:33]2[n:32][c:31]3[c:30]([cH:29][c:28]([Cl:27])[cH:42][cH:41]3)[s:34]2)[CH2:40][CH2:39]1)[CH2:4][n:5]1[n:6][c:7](-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[c:8]2[c:13]1[CH2:12][CH2:11][N:10]([C:14]([CH3:15])=[O:16])[CH2:9]2Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-1ce714d285bf48e19c81ca5b50b27ca4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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