An exploratory ab initio study of the SN2 reaction of 1,3,3-trimethyltriazene with halide ions

Autor:	Cory C. Pye, Thomas G. Enright, Katherine G. Doucet
Rok vydání:	2007
Předmět:	Chemical substance Guanine Organic Chemistry Ab initio Halide General Chemistry Photochemistry Catalysis chemistry.chemical_compound chemistry Computational chemistry Nucleophilic aromatic substitution Nucleophilic substitution SN2 reaction Triazene
Zdroj:	Canadian Journal of Chemistry. 85:958-963
ISSN:	1480-3291 0008-4042
DOI:	10.1139/v07-110
Popis:	Methyltriazene and the O6 oxygen of guanine are believed to undergo a bimolecular nucleophilic substitution (SN2) reaction to form methylguanine, which is proposed to be responsible for the cytotoxic properties of triazene-containing anti-neoplastic agents, such as Dacarbazine. To better understand the proposed mechanism of triazene-containing anti-neoplastic agents, a series of ab initio studies investigating the SN2 reaction between methyltriazenes and halide ions were undertaken. The results of our investigation of the SN2 reaction between 1,3,3-trimethyltriazene and the halide ions are presented here.Key words: triazene, trimethyltriazene, Dacarbazine, Temozolomide, bimolecular nucleophilic substitution reaction.
Databáze:	OpenAIRE
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