Benzene → Ethyl (([5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxan-2-yl]methyl}thio)acetate

HRID 1551033Notes

Reaction equation

HRID 1551033 reaction equation
[CH3:18][C:19]([CH2:20][OH:21])([CH2:22][OH:23])[CH3:24].[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][S:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])=[O:17])[cH:6][cH:7]1.[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:9][S:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[O:17][CH2:22][C:19]([CH3:18])([CH3:24])[CH2:20][O:21]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 6101p-Toluenesulfonic acidHCID 31344Neopentyl glycolHCID 14923348Ethyl {[2-(4-methylphenyl)-2-oxoethyl]thio}acetate

Product 1

HCID 86619091Ethyl (([5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxan-2-yl]methyl}thio)acetate

Sources & evidence

ORD record
ord-cc301fd6c4e94a5ca8cc54ef66b8799d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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