Highly functionalized dispiro oxindole-pyrrolo[1,2-c]thiazole-piperidone hybrid: Synthesis, characterization and theoretical investigations on the regiochemistry
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- 作者：Raju Suresh Kumara ; drrajusureshkumar@gmail.com" class="auth_mail" title="E-mail the corresponding author ; sraju@ksu.edu.sa" class="auth_mail" title="E-mail the corresponding author ; Abdulrahman I. Almansoura ; Natarajan Arumugama ; Saied M. Solimanb ; c ; Raju Ranjith Kumard ; raju.ranjithkumar@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Hazem A. Ghabboure ; f
- 关键词：1 ; 3-Dipolar cycloaddition ; Azomethine ylide ; Dispiro ; Heterocycle ; Molecular mechanics ; FMO ; DFT
- 刊名：Journal of Molecular Structure
- 出版年：2016
- 出版时间：5 October 2016
- 年：2016
- 卷：1121
- 期：Complete
- 页码：93-103
- 全文大小：1983 K
文摘
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Highly functionalized dispiro oxindole–pyrrolo[1,2-c]thiazole–piperidone hybrid has been achieved regioselectively.
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Structure was accomplished using NMR spectroscopy and X-ray crystallographic studies.
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The formation of product has been explained using the local reactivity descriptors obtained from the DFT calculations.
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DFT optimized molecular structure agree well with the X-ray results.