An efficient computational model to predict the synthetic utility of heterocyclic arynes

Angewandte Chemie - International Edition

Volumn 51, Issue 11, 2012, Pages 2758-2762

  Goetz, Adam E ^a   Bronner, Sarah M ^a   Cisneros, Jordan D ^a   Melamed, Joshua M ^a   Paton, Robert S ^a,b   Houk, K N ^a   Garg, Neil K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

arynes; computational chemistry; heterocycles; reactive intermediates; regioselectivity

Indexed keywords

ARYNES; COMPUTATIONAL APPROACH; COMPUTATIONAL MODEL; HETEROCYCLES; REACTIVE INTERMEDIATE; SYNTHETIC UTILITY; TRAPPING AGENT;

COMPUTATIONAL CHEMISTRY; COMPUTATIONAL METHODS; REGIOSELECTIVITY;

ORGANIC COMPOUNDS;

HETEROCYCLIC COMPOUND;

ARTICLE; CHEMISTRY; COMBINATORIAL CHEMISTRY; STEREOISOMERISM; SYNTHESIS;

COMBINATORIAL CHEMISTRY TECHNIQUES; HETEROCYCLIC COMPOUNDS; STEREOISOMERISM;

EID: 84858030370     PISSN: 14337851     EISSN: 15213773     Source Type: Journal    
DOI: 10.1002/anie.201108863     Document Type: Article

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