Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism

Direct Metal-Free Transformation of Alkynes to Nitriles: Computational Evidence for the Precise Reaction Mechanism

Density functional theory calculations elucidated the precise reaction mechanism for the conversion of diphenylacetylenes into benzonitriles involving the cleavage of the triple C≡C bond, with <i>N</i>-iodosuccinimide (NIS) as an oxidant and trimethylsilyl azide (TMSN<sub>3</sub...

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Bibliographic Details
Main Authors:	Lucija Hok, Robert Vianello
Format:	Article
Language:	English
Published:	MDPI AG 2021-03-01
Series:	International Journal of Molecular Sciences
Subjects:	azides DFT calculations cyanides <i>N</i>-iodosuccinimide triple C≡C bond cleavage
Online Access:	https://www.mdpi.com/1422-0067/22/6/3193

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