1-Butanol → 2-Chloro-6-(3-fluoro-phenyl-amino)-purine
Reaction equation
[CH2:29]([OH:30])[CH2:31][CH2:32][CH3:33].[CH:25]([OH:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[n:3][c:4]([Cl:11])[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1.[F:12][c:13]1[cH:14][c:15]([NH2:16])[cH:17][cH:18][cH:19]1.[O:20]=[CH:21][N:22]([CH3:23])[CH3:24]>>[Cl:1][c:2]1[n:3][c:4]([NH:16][c:15]2[cH:14][c:13]([F:12])[cH:19][cH:18][cH:17]2)[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1Participants
6
Sources & evidence
- ORD record
- ord-01bcf6204e534671bd8a3ae86bebfb63
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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