Ethanol → 4-[4-[1-(2,2-Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]benzoic acid
Reaction equation
[CH3:1][C:2]([CH2:3][O:4][C:5]1([c:8]2[c:9]([CH3:27])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)([CH3:28])[CH3:29].[CH3:32][CH2:33][OH:34].[Na+:31].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:30]>>[CH3:1][C:2]([CH2:3][O:4][C:5]1([c:8]2[c:9]([CH3:27])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:25][cH:26]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)([CH3:28])[CH3:29]Participants
6
Sources & evidence
- ORD record
- ord-87ab92c559f54e03a476c4ea38e895db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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