Ethanol → {4-[4-[1-(2,2-Dimethylpropyloxy)-cyclopropyl]-3-methyl-phenylethynyl]-phenyl}-acetic Acid
Reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]([CH3:29])[c:17]([C:20]3([O:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:10][cH:11]1.[CH3:32][CH2:33][OH:34].[Na+:31].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:30]>>[CH2:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][c:16]([CH3:29])[c:17]([C:20]3([O:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-88f5569866484bbbb698aadb35ee2185
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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