p-Toluenesulfonic acid → p-[(1,5-Dimethylhexyl)oxy]benzoic acid propargyl ester
Reaction equation
[CH2:20]([C:21]#[CH:23])[OH:22].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:10][CH:11]([CH2:12][CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[CH3:18])[cH:8][cH:9]1)=[O:19].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH2:1]([O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([O:10][CH:11]([CH2:12][CH2:13][CH2:14][CH:15]([CH3:16])[CH3:17])[CH3:18])[cH:8][cH:9]1)=[O:19])[C:20]#[CH:21]Participants
4
Sources & evidence
- ORD record
- ord-d0ac887e10914ddc8aa9e2c52fa389ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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