Acetic Acid → 4-(4-Bromo-2-nitroanilino)-1-methylpiperidin-3-ol
Reaction equation
[Br:3][c:4]1[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]([NH:10][CH:11]2[CH:12]([OH:17])[CH2:13][NH:14][CH2:15][CH2:16]2)[cH:8][cH:9]1.[C:22]([BH3-:23])#[N:24].[CH2:1]=[O:2].[CH3:27][C:28](=[O:29])[OH:30].[ClH:21].[Na+:25].[OH2:26]>>[Br:3][c:4]1[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]([NH:10][CH:11]2[CH:12]([OH:17])[CH2:13][N:14]([CH3:22])[CH2:15][CH2:16]2)[cH:8][cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-c2587a2e23e949a89797dc73248e0f41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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