Photooxidation of 2-(tert-Butyl)-3-Methyl-2,3,5,6,7,8-Hexahydroquinazolin-4(1H)-one, an Example of Singlet Oxygen ene Reaction.

Méndez, Adrian; Valdez-Camacho, Jonathan Román; Escalante, Jaime

Photooxidation of 2-(tert-Butyl)-3-Methyl-2,3,5,6,7,8-Hexahydroquinazolin-4(1H)-one, an Example of Singlet Oxygen ene Reaction.

Méndez, Adrian; Valdez-Camacho, Jonathan Román; Escalante, Jaime.

Afiliação

Méndez A; The Center for Chemical Research, Autonomous University of Morelos State, Av. Universidad 1001, Chamilpa, Cuernavaca 62210, Mexico.
Valdez-Camacho JR; The Center for Chemical Research, Autonomous University of Morelos State, Av. Universidad 1001, Chamilpa, Cuernavaca 62210, Mexico.
Escalante J; The Center for Chemical Research, Autonomous University of Morelos State, Av. Universidad 1001, Chamilpa, Cuernavaca 62210, Mexico.

Molecules ; 25(21)2020 Oct 29.

Article em En | MEDLINE | ID: mdl-33137910

Assuntos

Modelos Químicos; Quinazolinas/química; Oxigênio Singlete/química; Cinética; Oxirredução

Palavras-chave

B3LyP/6311++G**; IRC calculations; QST2 method; activation energy; intermediates; peroxidation; quinazolinone; reaction coordinate; singlet oxygen; singlet oxygen ene reaction; transition state

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Quinazolinas / Oxigênio Singlete / Modelos Químicos Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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