Ethanol → {4-[4-(1-Ethoxycyclopropyl)-3-isopropyl-phenylethynyl]-phenyl]-acetic 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]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:19][cH:20]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[CH3:32][C:33]#[N:34].[CH3:35][CH2:36][OH:37].[Na+:30].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:29].[OH2:31]>>[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]([CH2:21][C:22](=[O:23])[OH:24])[cH:19][cH:20]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-066fb0fa5cd549799b636a514e6bb21f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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