Ethylene Glycol → 2-Isopropyl-7-(4'-tert-butylphenyl)-1-indanone
Reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[c:19]1[cH:20][cH:21][c:22]([B:25]([OH:26])[OH:27])[cH:23][cH:24]1.[CH:1]([CH3:2])([CH3:3])[CH:4]1[C:5](=[O:14])[c:6]2[c:7]([Cl:13])[cH:8][cH:9][cH:10][c:11]2[CH2:12]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[OH2:38].[OH:34][CH2:35][CH2:36][OH:37]>>[CH:1]([CH3:2])([CH3:3])[CH:4]1[C:5](=[O:14])[c:6]2[c:7](-[c:22]3[cH:21][cH:20][c:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:24][cH:23]3)[cH:8][cH:9][cH:10][c:11]2[CH2:12]1Participants
7
Sources & evidence
- ORD record
- ord-c2db7aa958214daca9d07a312d21bb02
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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