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]([CH2:21][C:22]([O:23][CH3:24])=[O:25])[cH:19][cH:20]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[CH3:33][C:34]#[N:35].[CH3:36][CH2:37][OH:38].[Na+:31].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:30].[OH2:32]>>[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:37](=[O:30])[OH:38])[cH:19][cH:20]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-0764a4f239bf4581a0de0aff5a4075c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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