Dimethylformamide → 2-[4-(4-{5-Chloro-4-[2-(propane-2-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-5-isopropoxy-2-methyl-phenyl)-piperidin-1-yl]-ethanol
Reaction equation
[Br:39][CH2:40][CH2:41][OH:42].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[c:3]([NH:26][c:27]2[c:28]([S:33](=[O:34])(=[O:35])[CH:36]([CH3:37])[CH3:38])[cH:29][cH:30][cH:31][cH:32]2)[n:4][c:5]([NH:8][c:9]2[c:10]([O:22][CH:23]([CH3:24])[CH3:25])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[Cl:1][c:2]1[c:3]([NH:26][c:27]2[c:28]([S:33](=[O:34])(=[O:35])[CH:36]([CH3:37])[CH3:38])[cH:29][cH:30][cH:31][cH:32]2)[n:4][c:5]([NH:8][c:9]2[c:10]([O:22][CH:23]([CH3:24])[CH3:25])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH2:40][CH2:41][OH:42])[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-dfdebdee67a14d099e564f1f32a7d3de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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