Isopropanol → N-(2,6-difluorophenyl)-3-[3-(2-{[4-[4-(dimethylamino)-1-piperidinyl]-2-(methyl-oxy)phenyl]amino}-4-pyrimidinyl)imidazo[1,2-a]pyridin-2-yl]benzamide
Reaction equation
[CH:63]([OH:64])([CH3:65])[CH3:66].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[Cl:67][CH2:68][Cl:69].[NH2:34][c:35]1[c:36]([O:50][CH3:51])[cH:37][c:38]([N:41]2[CH2:42][CH2:43][CH:44]([N:47]([CH3:48])[CH3:49])[CH2:45][CH2:46]2)[cH:39][cH:40]1.[c:52]1([CH3:53])[cH:54][cH:55][c:56]([S:57]([OH:58])(=[O:59])=[O:60])[cH:61][cH:62]1>>[c:2]1([NH:34][c:35]2[c:36]([O:50][CH3:51])[cH:37][c:38]([N:41]3[CH2:42][CH2:43][CH:44]([N:47]([CH3:48])[CH3:49])[CH2:45][CH2:46]3)[cH:39][cH:40]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[cH:18][c:19]([C:20](=[O:21])[NH:22][c:23]4[c:24]([F:30])[cH:25][cH:26][cH:27][c:28]4[F:29])[cH:31][cH:32][cH:33]3)[n:10][c:11]3[n:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-d383a454e8c14bbcbe46c62f732774bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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