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A computed mechanistic pathway for the formation of an amide from an acid and an amine in non-polar solution.
Author(s)
Rzepa, HS
Type
Dataset
Abstract
The mechanistic pathway for the formation of an amide from a primary amine and a carboxylic acid, evaluated using potential energy surfaces computed at the wB97XD/6-311G(d,p)  and the  B2PLYP+D3/TZVP procedures, with a an applied continuum solvent field for p-xylene.
Date Issued
2014-11-12
Citation
2014
URI
DOI
Subjects
InChIKey=ARKRYDPEYUITNP-UHFFFAOYSA-N
Computational Chemistry
Organic Chemistry