Acetone → 4-[2-(4-Acetyl-3-hydroxy-2-propylphenoxy)ethoxy]-benzoic acid ethyl ester
Reaction equation
[Br:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([CH2:15][CH2:16][CH3:17])[c:7]([OH:14])[c:8]([C:11]([CH3:12])=[O:13])[cH:9][cH:10]1.[C:30](=[O:31])([O-:32])[O-:33].[CH2:18]([CH3:19])[O:20][C:21]([c:22]1[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]1)=[O:29].[CH3:36][C:37](=[O:38])[CH3:39].[K+:34].[K+:35].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([CH2:15][CH2:16][CH3:17])[c:7]([OH:14])[c:8]([C:11]([CH3:12])=[O:13])[cH:9][cH:10]1)[O:28][c:25]1[cH:24][cH:23][c:22]([C:21]([O:20][CH2:18][CH3:19])=[O:29])[cH:27][cH:26]1Participants
7
Sources & evidence
- ORD record
- ord-17d2ddb455e1429db741e581d0653851
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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