Ionic model for general acid catalysed decarboxylation
DOI: 10.14469/hpc/204 Metadata
Created: 2016-01-10 08:33
Last modified: 2019-03-29 09:41
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Co-author: Charles ROMAIN Co-author: Matthew Harvey
Description
A quantum model for the general acid catalysed decarboxylation of indole-3-carboxylic acid
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| indole-carboxylate.cdx | 4KB | chemical/x-cdx | Chemical structure |
| isotope.dat | 69KB | application/octet-stream | kinetic isotope effects, input file |
| isotope.out | 100KB | application/octet-stream | kinetic isotope effects, output file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/178 | Mechanism and kinetic isotope effects for protiodecarboxylation of indoles. |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.1039/P29770000281 | Heteroaromatic hydrogen exchange reactions. Part 9. Acid catalysed decarboxylation of indole-3-carboxylic acids |
| References | 10.14469/spiral/20860 | PhD thesis. Hydrogen transfer reactions of Indoles |
| References | 10.5281/zenodo.19272 | KINISOT. A basic program to calculate kinetic isotope effects using normal coordinate analysis of transition state and reactants. |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) |
| inchikey | KMAKOBLIOCQGJP-UHFFFAOYSA-N |