Bicarbonate Ion → Tert-butyl 4-hydroxy-3-nitrobenzoate

HRID 1147914Notes

Reaction equation

HRID 1147914 reaction equation
[C:30](=[O:31])([O-:32])[OH:33].[CH3:25][C:26]([CH3:27])([CH3:28])[OH:29].[Cl:35][CH2:36][Cl:37].[Mg+2:1].[Na+:34].[O-:2][S:3](=[O:4])(=[O:5])[O-:6].[OH:12][c:13]1[c:14]([N+:22](=[O:23])[O-:24])[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]1.[S:7](=[O:8])(=[O:9])([OH:10])[OH:11]>>[OH:12][c:13]1[c:14]([N+:22](=[O:23])[O-:24])[cH:15][c:16]([C:17](=[O:18])[O:19][C:26]([CH3:25])([CH3:27])[CH3:28])[cH:20][cH:21]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 888Magnesium CationHCID 923Sodium ionHCID 1117Sulfate IonHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 120334-Hydroxy-3-nitrobenzoic acid

Product 1

HCID 22667857Tert-butyl 4-hydroxy-3-nitrobenzoate

Sources & evidence

ORD record
ord-c673fe499e5947ff9799d72c36ae0c71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…