Bicarbonate Ion → tert-Butyl 3-acetylbenzoate

HRID 119030Notes

Reaction equation

HRID 119030 reaction equation
[C:12]([CH3:13])(=[O:14])[c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23]1.[CH3:24][C:25]([CH3:26])([CH3:27])[OH:28].[Cl:34][CH2:35][Cl:36].[Mg+2:1].[Na+:33].[O-:29][C:30]([OH:31])=[O:32].[O-:2][S:3]([O-:4])(=[O:5])=[O:6].[S:7](=[O:8])(=[O:9])([OH:10])[OH:11]>>[C:12]([CH3:13])(=[O:14])[c:15]1[cH:16][c:17]([C:18](=[O:19])[O:20][C:25]([CH3:24])([CH3:26])[CH3:27])[cH:21][cH:22][cH:23]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 888Magnesium CationHCID 923Sodium ionHCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 2203243-Acetylbenzoic acid

Product 1

HCID 46941403tert-Butyl 3-acetylbenzoate

Sources & evidence

ORD record
ord-12bc168f9d8e4e9d8e50bf4b149907b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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