Chloride → Methyl 5-acetylsalicylate

HRID 289071

Reaction equation

HRID 289071 reaction equation
[Al+3:23].[C:1]([c:2]1[c:3]([OH:4])[cH:5][cH:6][cH:7][cH:8]1)(=[O:9])[O:10][CH3:11].[CH3:18][C:19]([Cl:20])=[O:21].[Cl-:22].[Cl-:24].[Cl-:25].[Cl:12][C:13]([Cl:14])=[C:15]([Cl:16])[Cl:17].[OH2:26]>>[C:1]([c:2]1[c:3]([OH:4])[cH:5][cH:6][c:7]([C:19]([CH3:18])=[O:21])[cH:8]1)(=[O:9])[O:10][CH3:11]

Participants

7

Reactant 6

HCID 312Chloride3×HCID 962WaterHCID 4133Methyl SalicylateHCID 6367Acetyl chlorideHCID 31373TetrachloroethyleneHCID 104727Aluminum Cation

Product 1

HCID 85444Methyl 5-acetylsalicylate

Sources & evidence

ORD record
ord-0662ce3574f64787b11e7307173cd00f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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