Hydrochloric Acid → 6-(4-methylphenyl)-2H-1-benzopyran-3-carboxylic acid

HRID 99527Notes

Reaction equation

HRID 99527 reaction equation
[C:25]([O:26][CH2:27][CH3:28])(=[O:29])[CH3:30].[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:24]2)[CH:13]=[C:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][O:16]3)[cH:6][cH:7]1.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[ClH:31]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([cH:24]2)[CH:13]=[C:14]([C:17](=[O:18])[OH:19])[CH2:15][O:16]3)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 8058HexaneHCID 8857Ethyl AcetateHCID 10615821tert-butyl 6-(4-methylphenyl)-2H-1-benzopyran-3-carboxylate

Product 1

HCID 105396746-(4-methylphenyl)-2H-1-benzopyran-3-carboxylic acid

Sources & evidence

ORD record
ord-705014f57457447a8a51dc0d7a0afb43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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