Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2024

Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions

Résumé

Computational chemistry is able to reproduce and explain experimental reaction times for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene both in solution and ball milling conditions.

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Chimie
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Dates et versions

hal-04715633 , version 1 (01-10-2024)

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Dayana Galeas, Iogann Tolbatov, Evelina Colacino, Feliu Maseras. Computational study on the mechanism for the synthesis of active pharmaceutical ingredients nitrofurantoin and dantrolene in both solution and mechanochemical conditions. Physical Chemistry Chemical Physics, 2024, 26 (37), pp.24288-24293. ⟨10.1039/d4cp01613k⟩. ⟨hal-04715633⟩
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