Ethanol → 4-[4-(1-Isopropoxycyclopropyl)-3-ethyl-phenylethynyl]-benzoic acid
Reaction equation
[CH3:32][C:33]#[N:34].[CH3:35][CH2:36][OH:37].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]1([c:8]2[c:9]([CH2:27][CH3:28])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([CH2:22][C:23]([O:24][CH3:25])=[O:26])[cH:20][cH:21]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1.[Na+:30].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:29].[OH2:31]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]1([c:8]2[c:9]([CH2:27][CH3:28])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([C:36](=[O:29])[OH:37])[cH:20][cH:21]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1Participants
8
Sources & evidence
- ORD record
- ord-76661aa3c1ba450b98a88c840192dce9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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