Acetic Acid → 3-[4-(4-Ethoxyanilino)piperidin-1-yl]butanenitrile
Reaction equation
[C:33]([OH:34])(=[O:35])[CH3:36].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([NH2:8])[cH:9][cH:10]1.[Cl:30][CH2:31][Cl:32].[Na+:27].[Na+:29].[O-:23][C:24]([OH:25])=[O:26].[O:11]=[C:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH2:19][C:20]#[N:21])[CH3:22])[CH2:16][CH2:17]1.[OH-:28]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([NH:8][CH:12]2[CH2:13][CH2:14][N:15]([CH:18]([CH2:19][C:20]#[N:21])[CH3:22])[CH2:16][CH2:17]2)[cH:9][cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-5b0bf6d0223e44f797ec040eb5c526e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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