Acetic Acid → 6-Bromo-7-hydroxy-4-(4-(2-pyrrolidin-1-yl-ethoxy)-benzyl)-3-(4-trifluoromethyl-phenyl)-chromen-2-one
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH2:25][c:26]3[cH:27][cH:28][c:29]([O:32][CH2:33][CH2:34][N:35]4[CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:30][cH:31]3)[c:6](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[c:7](=[O:14])[o:8][c:9]2[cH:10][c:11]1[O:12][CH3:13].[BrH:40].[C:41](=[O:42])([OH:43])[O-:44].[CH3:46][C:47](=[O:48])[OH:49].[Na+:45]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH2:25][c:26]3[cH:27][cH:28][c:29]([O:32][CH2:33][CH2:34][N:35]4[CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:30][cH:31]3)[c:6](-[c:15]3[cH:16][cH:17][c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]3)[c:7](=[O:14])[o:8][c:9]2[cH:10][c:11]1[OH:12]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-2cbf0ad50b5645cf9b3f0368dfa05509
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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