Isopropanol → Isopropyl 3-(1-{1-[(4-chlorophenyl)(3-cyanophenyl)methyl]azetidin-3-yl}-2-fluoro-2-methylpropyl)-5-fluorobenzoate
Reaction equation
[CH:36]([CH3:37])([CH3:38])[OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH:13]([C:14]([CH3:15])([CH3:16])[F:17])[c:18]3[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][c:25]([F:27])[cH:26]3)[CH2:12]2)[c:28]2[cH:29][c:30]([C:34]#[N:35])[cH:31][cH:32][cH:33]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([N:9]2[CH2:10][CH:11]([CH:13]([C:14]([CH3:15])([CH3:16])[F:17])[c:18]3[cH:19][c:20]([C:21](=[O:22])[O:23][CH:36]([CH3:37])[CH3:38])[cH:24][c:25]([F:27])[cH:26]3)[CH2:12]2)[c:28]2[cH:29][c:30]([C:34]#[N:35])[cH:31][cH:32][cH:33]2)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-8299b899978b40be8b0254e3b3a80b5e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…