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- W2085269162 abstract "The stereochemistry and energetics of conformational interconversions of the bisheteroatom-substituted (HERON) amide, N-methoxy-N-dimethylaminoformamide 3, have been investigated by ab initio methods at the B3LYP/6-31G* level. Four diastereomeric minima and 17 transition structures for conformational interchange were located. Ranges for barriers, in kJ mol-1, are as follows: N−CO rotation, 53−60; N−N rotation, 51−60; N−O rotation, 27−50; amino N inversion, 19−27. The factors determining the structural details and barrier heights, namely, acyl conjugation, substituent electronegativity, four-electron repulsions, and anomeric effects, are discussed." @default.
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- W2085269162 date "1999-03-12" @default.
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- W2085269162 title "Conformational Stereochemistry of the HERON Amide, <i>N</i>-Methoxy-<i>N</i>-dimethylaminoformamide: A Theoretical Study" @default.
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- W2085269162 doi "https://doi.org/10.1021/jo982048p" @default.
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