Potassium Cation → 5-Cyclopropyl-2-(2-(2-cyclopropylphenyl)pyrimidin-5-ylamino)benzoic acid
Reaction equation
[CH:27]1([B:30]([OH:31])[OH:32])[CH2:28][CH2:29]1.[Cl:1][c:2]1[c:3](-[c:8]2[n:9][cH:10][c:11]([NH:14][c:15]3[c:16]([C:17](=[O:18])[OH:19])[cH:20][c:21]([CH:24]4[CH2:25][CH2:26]4)[cH:22][cH:23]3)[cH:12][n:13]2)[cH:4][cH:5][cH:6][cH:7]1.[K+:38].[K+:39].[K+:40].[OH2:41].[OH2:42].[P:33]([O-:34])([O-:35])([O-:36])=[O:37].[c:43]1([CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1([CH:27]2[CH2:28][CH2:29]2)[c:3](-[c:8]2[n:9][cH:10][c:11]([NH:14][c:15]3[c:16]([C:17](=[O:18])[OH:19])[cH:20][c:21]([CH:24]4[CH2:25][CH2:26]4)[cH:22][cH:23]3)[cH:12][n:13]2)[cH:4][cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-d07000ddf3a345018c0e351f6b120782
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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