Hydrochloric Acid → 1-(8-Aza-bicyclo[3.2.1]oct-8-yl)-4-[4-(5-fluoro-2-methoxy-phenyl)-piperazin-1-yl]-2-phenyl-butan-1-one
Reaction equation
[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:16]12[CH2:17][CH2:18][CH2:19][CH:20]([CH2:21][CH2:22]1)[N:23]2[C:24]([CH:25]([CH2:26][CH2:27][Cl:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)=[O:35].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:7]1.[I-:46].[K+:45].[OH2:53]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:14][CH3:15])[c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH2:27][CH2:26][CH:25]([C:24]([N:23]3[CH:16]4[CH2:17][CH2:18][CH2:19][CH:20]3[CH2:21][CH2:22]4)=[O:35])[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:12][CH2:13]2)[cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e02e382c049c473abbf4a996dbdf7384
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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