Ethanol → {3-[3-(4-Chloro-phenyl)-benzo[d]isothiazol-6-yl]-propyl}-dimethyl-amine
Reaction equation
[CH3:23][CH2:24][OH:25].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([C:17]#[C:18][CH2:19][N:20]([CH3:21])[CH3:22])[cH:16]3)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][s:10][c:11]3[c:12]2[cH:13][cH:14][c:15]([CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[cH:16]3)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-d60cfc68287142c2aa504f4ab479787a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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