期刊
JOURNAL OF ORGANIC CHEMISTRY
卷 73, 期 22, 页码 8755-8762出版社
AMER CHEMICAL SOC
DOI: 10.1021/jo801390x
关键词
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资金
- National Science Foundation [CHE-0718242]
- Fonds der Chemischen Industrie
- NSF-IGERT [DGE-0114419, 0549503]
- Direct For Education and Human Resources
- Division Of Graduate Education [0549503] Funding Source: National Science Foundation
The design of new reactions that yield benzo-fused five- or six-membered rings arising from conjugated ene-ene-yne precursors was examined computationally. Inclusion of heteroatoms (particularly N) in the bond making position was shown to lower activation energies due to participation of the lone pair electrons in the cyclization reactions. By systematically varying the atomic configuration in the ene-ene-yne system, the influence of heteroatoms was used to identify optimal candidates for future experimental study.
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