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Theoretical study of N-dealkylation of N-cyclopropyl-N-methylaniline catalyzed by cytochrome P450: insight into the origin of the regioselectivity

Dongmei Li,ab   Yong Wang,a   Chuanlu Yangc and   Keli Han*a  
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a
State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
E-mail: klhan@dicp.ac.cn;
Fax: +86-411-84675584 ;
Tel: +86-411-84379293
b
Graduate School of the Chinese Academy of Sciences, Beijing 100039, China
c
Department of Physics, Ludong University, Yantai 264025, China
Dalton Trans., 2009, 291-297

DOI: 10.1039/B810767J
Received 25 Jun 2008, Accepted 01 Oct 2008
First published online 19 Nov 2008
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