Acetic Acid → 3-[4-[4-(Difluoromethoxy)anilino]piperidin-1-yl]butanenitrile
Reaction equation
[C:34]([OH:35])(=[O:36])[CH3:37].[Cl:31][CH2:32][Cl:33].[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH2:8])[cH:9][cH:10]1)[F:11].[Na+:28].[Na+:30].[O-:24][C:25]([OH:26])=[O:27].[O:12]=[C:13]1[CH2:14][CH2:15][N:16]([CH:19]([CH2:20][C:21]#[N:22])[CH3:23])[CH2:17][CH2:18]1.[OH-:29]>>[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH:8][CH:13]2[CH2:14][CH2:15][N:16]([CH:19]([CH2:20][C:21]#[N:22])[CH3:23])[CH2:17][CH2:18]2)[cH:9][cH:10]1)[F:11]Participants
8
Sources & evidence
- ORD record
- ord-3cb2a139b71e430789a3d44067684f3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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