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3 was the optimal base and the diastereoselectivity was 3:1 (E/Z). Under identical conditions the catalytic protocol yields the same selectivity 31 E/Z
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A study employing isolated phosphonium salt derived from reduced 1 and methyl bromoacetate revealed that Na2CO3 was the optimal base and the diastereoselectivity was 3:1 (E/Z). Under identical conditions the catalytic protocol yields the same selectivity, 3:1 (E/Z).
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Density functional theory computations were carried out at the [B3LYP/6-31G(d,p)(SCRF-PCM, solvent = toluene) (ε = 2.379)] level, using the Gaussian 03 (G03) program package, with default convergence thresholds; all structures were frequency- confirmed as residing at minima. Bader's Atoms-In-Molecules (AIM) analyses of the wavefunctions generated from the geometry-optimized structures were performed.
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Density functional theory computations were carried out at the [B3LYP/6-31G(d,p)(SCRF-PCM, solvent = toluene) (ε = 2.379)] level, using the Gaussian 03 (G03) program package, with default convergence thresholds; all structures were frequency- confirmed as residing at minima. Bader's Atoms-In-Molecules (AIM) analyses of the wavefunctions generated from the geometry-optimized structures were performed.
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