Ethanol → 4-[4-(1-Isopropoxycyclopropyl)-phenylethynyl]-benzoic Acid
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([C:19]3([O:22][CH:23]([CH3:24])[CH3:25])[CH2:20][CH2:21]3)[cH:17][cH:18]2)[cH:9][cH:10]1)=[O:26].[CH3:29][CH2:30][OH:31].[Na+:28].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:27]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([C:19]3([O:22][CH:23]([CH3:24])[CH3:25])[CH2:20][CH2:21]3)[cH:17][cH:18]2)[cH:9][cH:10]1)[OH:26]Participants
6
Sources & evidence
- ORD record
- ord-ebdef7495ffb4d60a0c8821271f53a8f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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