Acetone → 2-(3,5-Bis-trifluoromethyl-benzoylamino)-4-(3-bromo-propoxy)-benzoic acid methyl ester
Reaction equation
[Br:29][CH2:30][CH2:31][CH2:32][Br:33].[C:34](=[O:35])([O-:36])[O-:37].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[cH:6][c:7]([OH:10])[cH:8][cH:9]1)=[O:28].[CH3:40][C:41](=[O:42])[CH3:43].[K+:38].[K+:39]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:11][C:12]([c:13]2[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)=[O:27])[cH:6][c:7]([O:10][CH2:32][CH2:31][CH2:30][Br:29])[cH:8][cH:9]1)=[O:28]Participants
6
Sources & evidence
- ORD record
- ord-770e6a11299a443786ffb2bd2b4359b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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