Comparative Study of Predicting Radical CH Functionalization Sites in Nitrogen Heteroarenes Using a Radical General-Purpose Reactivity Indicator and the Radical Fukui Function.

• Tác giả: James S M Anderson, Yoshio Barrera
• Ngôn ngữ: eng
• Ký hiệu phân loại: 335.437 Comparative studies
• Thông tin xuất bản: United States : Journal of computational chemistry , 2025
• Bộ sưu tập: NCBI
• ID: 749353

Tóm tắt

The Radical General-Purpose Reactivity Indicator (R-GPRI) is a valuable new tool for discerning the most reactive atoms within a molecule undergoing radical attack. In this study, we apply the condensed R-GPRI and the condensed Radical Fukui Function (RFF) to identify the two most reactive atoms in 14 nitrogen heteroarenes subjected to radical attack by •CF