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- W2043109713 abstract "A new efficient approach was developed for the synthesis of aromatic and heteroaromatic compounds based on [4 + 2] cycloaddition of unsubstituted and heteroatom-substituted alkyne and enyne units. The developed approach provides a practical Green chemical route to several types of important bicyclic products (indane, cyclopentapyridines, indole, isoindole, indolizine, isophosphindole, benzofuran, benzothiophene, benzoselenophene and corresponding dihydro derivatives) starting from simple linear compounds. The mechanism of the reactions was revealed by theoretical calculations using different methods, including CCSD(T) and MP4(SDTQ) for energy calculations and B3LYP, M052X, B3PW91, BLYP and MP2 levels for evaluation of molecular structures." @default.
- W2043109713 created "2016-06-24" @default.
- W2043109713 creator A5029774717 @default.
- W2043109713 creator A5053135866 @default.
- W2043109713 date "2011-09-15" @default.
- W2043109713 modified "2023-10-16" @default.
- W2043109713 title "Novel [4 + 2] cycloaddition reactions of alkyne and enyne key-units: Direct access to bicyclic aromatic and heteroaromatic products. A theoretical mechanistic study" @default.
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- W2043109713 doi "https://doi.org/10.1039/c1sc00380a" @default.
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