Acetonitrile → N-{4-Chloro-3-[3-methyl-6-(4-trifluoromethyl-piperidin-1-yl)-1H-benzimidazol-2-ylamino]-benzyl}-2,2-dimethyl-propionamide
Reaction equation
[CH3:38][C:39]#[N:40].[Cl:1][c:2]1[c:3]([NH:16][C:17](=[S:18])[NH:19][c:20]2[c:21]([NH:36][CH3:37])[cH:22][cH:23][c:24]([N:26]3[CH2:27][CH2:28][CH:29]([C:32]([F:33])([F:34])[F:35])[CH2:30][CH2:31]3)[cH:25]2)[cH:4][c:5]([CH2:6][NH:7][C:8]([C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[cH:14][cH:15]1>>[Cl:1][c:2]1[c:3]([NH:16][CH:17]2[NH:19][c:20]3[c:21]([cH:22][cH:23][c:24]([N:26]4[CH2:27][CH2:28][CH:29]([C:32]([F:33])([F:34])[F:35])[CH2:30][CH2:31]4)[cH:25]3)[N:36]2[CH3:37])[cH:4][c:5]([CH2:6][NH:7][C:8]([C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[cH:14][cH:15]1Participants
3
Sources & evidence
- ORD record
- ord-bd48b1b83ebd450db15f42ddcdf0f590
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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