A mechanistic insight into the boron-catalysed direct amidation reaction. Supplemental Computational data for one amine cycle.
DOI: 10.14469/hpc/3179 Metadata
Created: 2017-10-12 13:29
Last modified: 2017-10-12 13:39
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian program input and output files
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/1854 | A mechanistic insight into the boron-catalysed direct amidation reaction. Computational data for one amine cycle. |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/1865 | Carboxylic first cycle, dimer + amine => TI => amide via PT TS |
| 10.14469/hpc/1852 | Carboxylic first cycle, dimer |
| 10.14469/hpc/1857 | Carboxylic first cycle, dimer + 3H2O |
| 10.14469/hpc/1900 | Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage reactant TI |
| 10.14469/hpc/1882 | Carboxylic first cycle, dimer + amine => TI => amide TS epimer + acetic acid assisted PT, TI + acetic acid after PT, C-O cleavage TS |
| 10.14469/hpc/1864 | Carboxylic first cycle, dimer + MeNH2 |