A mechanistic study on the gold(i)-catalyzed cyclization of propargylic amide: revealing the impact of expanded-ring N-heterocyclic carbenes

Author:

Ma Yumiao12ORCID,Ali Hafiz Saqib3ORCID,Hussein Aqeel A.4ORCID

Affiliation:

1. BSJ Institute, Haidian, Beijing, 100084, People's Republic of China

2. Hangzhou Yanqu Information Technology Co., Ltd., Xixi Legu Creative Pioneering Park, No. 712 Wen'er West Road, Xihu District, Hangzhou City, Zhejiang Province, 310003, People's Republic of China

3. School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Rd, Kings Buildings, EH9 3FJ Edinburgh, UK

4. Department of Pharmacy, College of Medicine, Komar University of Science and Technology, Sulaymaniyah, Kurdistan Region, Iraq

Abstract

Density functional theory (DFT) was applied to understand the mechanistic pathway of the gold(i)-catalyzed cyclization of propargylic amide, and to reveal the impact of expanded-ring N-heterocyclic carbenes.

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

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