Acetic Acid → 3-(4-Hydroxy-3,5-dimethylphenyl)-5,7-bis(2-methyl-2-propanyl)-1-benzofuran-2(3H)-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]2[c:9]([cH:15]1)[CH:10]([OH:14])[C:11](=[O:13])[O:12]2.[CH3:20][c:21]1[c:22]([OH:28])[c:23]([CH3:27])[cH:24][cH:25][cH:26]1.[CH3:41][C:42](=[O:43])[OH:44].[OH2:29].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:16]([CH3:17])([CH3:18])[CH3:19])[c:8]2[c:9]([cH:15]1)[CH:10]([c:25]1[cH:24][c:23]([CH3:27])[c:22]([OH:28])[c:21]([CH3:20])[cH:26]1)[C:11](=[O:13])[O:12]2Participants
6
Sources & evidence
- ORD record
- ord-6a96dadcf760458f9c8b890c90123f3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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