关于Pyridodiazepine宪法异构体和TAutomers的整体INICS芳香性

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Updated: Jul 19, 2025

Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach
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Synthesis of pH Dependent Pyrazole, Imidazole, and Isoindolone Dipyrrinone Fluorophores using a Claisen-Schmidt Condensation Approach

Published on: June 10, 2021

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Małgorzata Jarończyk1, Sławomir Ostrowski2, Jan Cz Dobrowolski1,2

  • 1National Medicines Institute, 30/34 Chełmska Street, 00-725 Warsaw, Poland.

Molecules (Basel, Switzerland)
|August 12, 2023
PubMed
概括

这项研究以计算方式调查了pyrido[m,n]diazepines,揭示了pyrido[1,3]异构体是最稳定的. 芳香度分析显示,质子化决定了环是芳香的还是反芳香的,皮里丁和亚泽环 π-系统之间的相关性很弱.

关键词:
芳香度是一种芳香度.在RCP的电子密度.整体NICS是一个不可分割的NICS.皮里多迪亚泽类药物.这是一种 tautomerism 的形式.

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