Isopropanol → 2-bromo-6-({2-chloro-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzoic acid
Reaction equation
[CH2:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40])[CH3:41].[CH3:42][CH:43]([OH:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([Cl:21])[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2.[NH2:22][c:23]1[c:24]([C:25](=[O:26])[OH:27])[c:28]([Br:32])[cH:29][cH:30][cH:31]1>>[Cl:1][c:2]1[n:3][c:4]([NH:22][c:23]2[c:24]([C:25](=[O:26])[OH:27])[c:28]([Br:32])[cH:29][cH:30][cH:31]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]1)[cH:9][cH:10]2Participants
5
Sources & evidence
- ORD record
- ord-d1d5a750e1f14c89a8bb841b52d5f789
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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