Ethyl Acetate → 4-{1-Ethyl-1-[4-(3-hydroxy-4,4-dimethyl-pentyl)-3-methyl-phenyl]-propyl}-2-methyl-phenol
Reaction equation
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([C:12]#[C:13][CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[OH:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:28])[c:24]([OH:27])[cH:25][cH:26]1.[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[H:29][H:30]>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:20])[c:9]([CH2:12][CH2:13][CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[OH:19])[cH:10][cH:11]1)[c:21]1[cH:22][c:23]([CH3:28])[c:24]([OH:27])[cH:25][cH:26]1Participants
4
Sources & evidence
- ORD record
- ord-dc9ae73454414830930c3724c24cb03e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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