Ethanol → 4-[4-(1-Ethoxycyclopropyl)-3-tert-butyl-phenylethynyl]-benzoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([C:26]([CH3:27])([CH3:28])[CH3:29])[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.[CH3:32][CH2:33][OH:34].[Na+:31].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:30]>>[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([C:26]([CH3:27])([CH3:28])[CH3:29])[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
6
Sources & evidence
- ORD record
- ord-b062076bd68c4395933eb92ef4b335cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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