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Mechanism and Origins of Site‐Selectivity of Template‐Directed C−H Insertion of Quinolines.
- Source :
-
Chemistry - A European Journal . 5/11/2023, Vol. 29 Issue 27, p1-11. 11p. - Publication Year :
- 2023
-
Abstract
- The template‐directed C−H insertion of α,β‐unsaturated esters into quinoline was interrogated by using computational quantum chemistry. An energetically viable mechanism for this complex multistep transformation was elucidated, with attention paid throughout to conformational flexibility and alternative ligand binding modes. The selectivity was found to correlate with distortion from a tetrahedral geometry for the carbon atom involved in C−H insertion, a parameter that can be applied to future template design. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 09476539
- Volume :
- 29
- Issue :
- 27
- Database :
- Academic Search Index
- Journal :
- Chemistry - A European Journal
- Publication Type :
- Academic Journal
- Accession number :
- 163705340
- Full Text :
- https://doi.org/10.1002/chem.202300124