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Functionalization of 2,3,4,5-Tetrahydro-1,5-benzodiazepin-2(1H)-ones by Electrophilic Aromatic Substitution

✍ Scribed by Regina Janciene; Ausra Vektariene; Zita Stumbreviciute; Lidija Kosychova; Kazimieras Konstantinavicius; Benedikta D. Puodziunaite


Book ID
106213280
Publisher
Springer Vienna
Year
2003
Tongue
English
Weight
320 KB
Volume
134
Category
Article
ISSN
0026-9247

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Quantum chemical estimation of reactivit
✍ Ausra Vektariene; Gytis Vektaris πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 267 KB

## Abstract DFT B3LYP calculation study was employed to estimate the regioselectivity of an electrophilic aromatic substitution in functionalized 2,3,4,5‐tetrahydro‐1,5‐benzodiazepin‐2(1__H__)‐ones. Charge density, frontier molecular orbital study, energetics of σ‐complex intermediates of electroph