Isopropanol → 4-[3-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-2-hydroxy-1-propoxy]-3-methoxyphenyl methanone
Reaction equation
[CH:32]([OH:33])([CH3:34])[CH3:35].[F:16][c:17]1[cH:18][c:19]2[c:20]([c:21]([CH:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[n:22][o:23]2)[cH:30][cH:31]1.[O:1]1[CH:2]([CH2:3][O:4][c:5]2[c:6]([O:13][CH3:14])[cH:7][c:8]([CH:11]=[O:12])[cH:9][cH:10]2)[CH2:15]1>>[OH:1][CH:2]([CH2:3][O:4][c:5]1[c:6]([O:13][CH3:14])[cH:7][c:8]([CH:11]=[O:12])[cH:9][cH:10]1)[CH2:15][N:27]1[CH2:26][CH2:25][CH:24]([c:21]2[c:20]3[c:19]([cH:18][c:17]([F:16])[cH:31][cH:30]3)[o:23][n:22]2)[CH2:29][CH2:28]1Participants
4
Sources & evidence
- ORD record
- ord-89beff9f6e324be494b05593a22b9673
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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