Toluene → Methyl 3-tert-butyl-5-(chlorocarbonyl)benzoate

HRID 700485Notes

Reaction equation

HRID 700485 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]1.[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[S:18]([Cl:19])([Cl:20])=[O:21]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:8](=[O:9])[Cl:20])[cH:11][c:12]([C:14](=[O:15])[O:16][CH3:17])[cH:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 121446585-tert-Butyl-isophthalic acid monomethyl ester

Product 1

HCID 86652123Methyl 3-tert-butyl-5-(chlorocarbonyl)benzoate

Sources & evidence

ORD record
ord-5f3e22616fc64910a46449b4865cf831
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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