Ethanol → 4-[4-(1-Benzyloxycyclopropyl)-3-methyl-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][c:15]([CH3:30])[c:16]([C:19]3([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:20][CH2:21]3)[cH:17][cH:18]2)[cH:9][cH:10]1)=[O:31].[CH3:34][CH2:35][OH:36].[Na+:33].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:32]>>[O:3]=[C:4]([c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]([CH3:30])[c:16]([C:19]3([O:22][CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[CH2:20][CH2:21]3)[cH:17][cH:18]2)[cH:9][cH:10]1)[OH:31]Participants
6
Sources & evidence
- ORD record
- ord-fee741f605ba47ddadb9d7057ef7e73f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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