Ethanol → 4-[4-(1-Methoxycyclopropyl)-phenylethynyl]-benzoic Acid
Reaction equation
[CH3:1][O:2][C:3]1([c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]3[cH:15][cH:16][c:17]([CH2:20][C:21]([O:22][CH3:23])=[O:24])[cH:18][cH:19]3)[cH:10][cH:11]2)[CH2:4][CH2:5]1.[CH3:27][CH2:28][OH:29].[Na+:26].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH-:25]>>[CH3:1][O:2][C:3]1([c:6]2[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]3[cH:15][cH:16][c:17]([C:28](=[O:25])[OH:29])[cH:18][cH:19]3)[cH:10][cH:11]2)[CH2:4][CH2:5]1Participants
6
Sources & evidence
- ORD record
- ord-229e3d8307124fcca06f6ecaa601246e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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