Ethanol → {4-[4-(1-Isopropoxycyclopropyl)-phenylethynyl]-phenyl}-acetic acid
Reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([C:20]3([O:23][CH:24]([CH3:25])[CH3:26])[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:10][cH:11]1.[CH3:29][CH2:30][OH:31].[Na+:28].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:27]>>[CH2:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]([C:12]#[C:13][c:14]2[cH:15][cH:16][c:17]([C:20]3([O:23][CH:24]([CH3:25])[CH3:26])[CH2:21][CH2:22]3)[cH:18][cH:19]2)[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-df6a9b0b1e8f48748cb53027b60ddd21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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