Acetone → Celecoxib Carboxylic Acid
Reaction equation
[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[CH3:35][C:36](=[O:37])[CH3:38].[OH2:34].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([C:24]([F:25])([F:26])[F:27])[n:12][n:13]2-[c:14]2[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[NH2:23])[cH:18][cH:19]2)[cH:7][cH:8]1>>[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([C:24]([F:25])([F:26])[F:27])[n:12][n:13]2-[c:14]2[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[NH2:23])[cH:18][cH:19]2)[cH:7][cH:8]1)[OH:30]Participants
5
Sources & evidence
- ORD record
- ord-cba219d87b85411b83f8274a488a3d2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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