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- W2007304433 abstract "Abstract Two possible reaction intermediates of the ortho-lithiation of 1-phenyl-2-N,N-dimethylcubane carboxamide were investigated using an ab-initio SCF molecular orbital approach at STO-5G level. The molecular electrostatic potential was used to analyze the reactivity of these intermediates. The geometry of the key intermediates is discussed. Based on the relative stability and the strength of the negative electrostatic potential near the reactive site criteria, it is quite clear that this reaction proceeds via a five-membered ring intermediate. The results agree well with experimental findings." @default.
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- W2007304433 date "1990-10-01" @default.
- W2007304433 modified "2023-10-02" @default.
- W2007304433 title "Computational investigation of the ortho-lithiation reaction mechanism of substituted cubanes" @default.
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- W2007304433 doi "https://doi.org/10.1016/0166-1280(90)85043-m" @default.
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