Hydrochloric Acid → 3-[1-(4-chlorophenyl)-3-[(2-methylsulfonyl-1-phenylethyl)amino]butan-2-yl]benzonitrile
Reaction equation
[CH3:22][S:23](=[O:24])(=[O:25])[CH2:26][C:27](=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]([CH:11]([CH3:12])[NH2:13])[c:14]2[cH:15][c:16]([C:20]#[N:21])[cH:17][cH:18][cH:19]2)[cH:7][cH:8]1.[ClH:1]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][CH:10]([CH:11]([CH3:12])[NH:13][CH:27]([CH2:26][S:23]([CH3:22])(=[O:24])=[O:25])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:14]2[cH:15][c:16]([C:20]#[N:21])[cH:17][cH:18][cH:19]2)[cH:7][cH:8]1Participants
4
Sources & evidence
- ORD record
- ord-7238adbb476e49d39dc43f4a066fe77e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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