A DFT study on the reaction mechanism of the gold(I)‐catalyzed cycloisomerization of alkynylhydroxyallylamides to 4‐Oxa‐6‐azatricyclo[3.3.0.02,8]octane and 3‐Acyl‐4‐alkenylpyrrolidine
Abstract:In this study, we use density functional theory calculations to investigate the discrepancy between two experimental results of Au(I)‐catalyzed cycloisomerization reactions of alkynylhydroxyallyl tosylamide under similar reaction conditions, with the only variations being reaction temperature and time. The experimental results reported by Yeh and Chung groups, respectively, showed that 3‐acyl‐4‐alkenylpyrrolidines are produced dominantly at ambient temperature, while 4‐aza‐6‐oxatricyclo[3.3.0.02,8]octanes are … Show more
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