Isopropanol → 2-({2-chloro-6-methyl-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluorobenzoic acid
Reaction equation
[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[n:3][c:4]([Cl:22])[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[c:9]([CH3:11])[cH:10]2.[NH2:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[c:29]([F:33])[cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[n:3][c:4]([NH:23][c:24]2[c:25]([C:26](=[O:27])[OH:28])[c:29]([F:33])[cH:30][cH:31][cH:32]2)[c:5]2[c:6]([n:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[c:9]([CH3:11])[cH:10]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-97839a08fce546c4bae1a44ab3ce247d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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