Acetic Acid → O-acetyl-5-chlorosalicylic acid

HRID 86360

Reaction equation

HRID 86360 reaction equation
[CH3:17][C:18](=[O:19])[O:20][C:21](=[O:22])[CH3:23].[CH3:24][C:25](=[O:26])[OH:27].[OH2:28].[OH:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][c:10]1[OH:11].[S:12](=[O:13])(=[O:14])([OH:15])[OH:16]>>[O:1]=[C:2]([O:3][C:18]([CH3:17])=[O:19])[c:4]1[cH:5][c:6]([Cl:7])[cH:8][cH:9][c:10]1[OH:11]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 7918Acetic AnhydrideHCID 94475-Chlorosalicylic Acid

Product 1

HCID 86592304O-acetyl-5-chlorosalicylic acid

Sources & evidence

ORD record
ord-5630d9cc29da4a33b589314d3b11d150
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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