Computational Study for the Aromatic Nucleophilic Substitution of 4-Dimethylamino-3-trifluoroacetyl- quinoline with Various Nucleophiles
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چکیده
منابع مشابه
A simple synthetic route to methyl 3-fluoropyridine-4-carboxylate by nucleophilic aromatic substitution.
The nitro group of methyl 3-nitropyridine-4-carboxylate (1) has successfully been replaced by fluoride anion via nucleophilic aromatic substitution to give the 3-fluoro- pyridine-4-carboxylate 2.
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Calculated using a QM/MM method, the free energy profile for the conversion of 4-chlorobenzoate to 4-hydroxybenzoate catalyzed by 4-chlorobenzoyl-CoA dehalogenase indicates the existence of a stable Meisenheimer complex.
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On the frontier between nucleophilic aromatic substitution and catalysis.
A study on the arylation of heteroatom nucleophiles by using activated haloarenes, with or without metal catalysts, is reported. A discussion concerning the involvement of traces of metals is presented, supported by an unexpected ''ligand'' effect in the absence of added metal catalysts. We believe that the frontier between nucleophilic aromatic substitution and catalysis will likely prove to b...
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ژورنال
عنوان ژورنال: HETEROCYCLES
سال: 2021
ISSN: 0385-5414
DOI: 10.3987/com-20-s(k)62