Ethanol → 4-[4-(1-Ethoxycyclopropyl)-3-isopropyl-phenylethynyl]-benzoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([CH:26]([CH3:27])[CH3:28])[cH:9][c:10]([C:13]#[C:14][c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[CH3:31][CH2:32][OH:33].[Na+:30].[OH-:29]>>[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([CH:26]([CH3:27])[CH3:28])[cH:9][c:10]([C:13]#[C:14][c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:24][cH:25]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1Participants
5
Sources & evidence
- ORD record
- ord-3b0053ea731b4e78a6b7e85ce2a16e3e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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