Isopropanol → 5,6-difluoro-N-(4-(3-(2-(4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-1H-benzo[d]imidazol-2-amine
Reaction equation
[CH3:36][N:37]1[CH2:38][CH2:39][N:40]([c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][cH:48]2)[CH2:41][CH2:42]1.[CH3:57][CH:58]([OH:59])[CH3:60].[F:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([NH:9][c:10]3[cH:11][cH:12][c:13]([O:16][c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4-[c:23]4[n:24][c:25]([S:29]([CH3:30])(=[O:31])=[O:32])[n:26][cH:27][cH:28]4)[cH:14][cH:15]3)[n:8]2)[cH:33][c:34]1[F:35].[F:50][C:51]([F:52])([F:53])[C:54]([OH:55])=[O:56]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]([NH:9][c:10]3[cH:11][cH:12][c:13]([O:16][c:17]4[n:18][cH:19][cH:20][cH:21][c:22]4-[c:23]4[n:24][c:25]([NH:49][c:46]5[cH:45][cH:44][c:43]([N:40]6[CH2:39][CH2:38][N:37]([CH3:36])[CH2:42][CH2:41]6)[cH:48][cH:47]5)[n:26][cH:27][cH:28]4)[cH:14][cH:15]3)[n:8]2)[cH:33][c:34]1[F:35]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-fc6f4f8916a7484d8d84de8b7c54a519
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…