Ethanol → o-Aminophenyl mercapturic acid

HRID 294234

Reaction equation

HRID 294234 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[OH:8])=[CH2:9].[CH3:18][CH2:19][OH:20].[NH2:10][c:11]1[c:12]([SH:17])[cH:13][cH:14][cH:15][cH:16]1>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[OH:8])[CH2:9][S:17][c:12]1[c:11]([NH2:10])[cH:16][cH:15][cH:14][cH:13]1

Participants

4

Reactant 3

HCID 702EthanolHCID 87132-AminothiophenolHCID 794822-Acetamidoacrylic acid

Product 1

HCID 539488o-Aminophenyl mercapturic acid

Sources & evidence

ORD record
ord-c787fa95d382436cb301cdbdd6c061aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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