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Published in 2025 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.70169
Abstract: Aromatic nucleophilic substitution (SNAr) is a widely employed synthetic method for modifying thiophene derivatives. Herein, we computationally investigate the reaction mechanism of 2‐methoxy‐3‐X‐5‐nitrothiophenes with pyrrolidine (where X = NO2, CN, SO2CH3, COCH3, CO2CH3, CONH2 or H). This…
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Keywords:
substitution;
chemistry;
effect nucleophilic;
substituent effect ... See more keywords