A QSRR Treatment of Solvent Effects on the Decarboxylation of
6-Nitrobenzisoxazole-3-carboxylates Employing Molecular
Descriptors
Alan R. Katritzky
Subbu Perumal
Ruslan Petrukhin
10.1021/jo0011843.s001
https://acs.figshare.com/articles/journal_contribution/A_QSRR_Treatment_of_Solvent_Effects_on_the_Decarboxylation_of_6-Nitrobenzisoxazole-3-carboxylates_Employing_Molecular_Descriptors/3686868
A quantitative structure−reactivity relationship (QSRR) study of the decarboxylation rates of
6-nitrobenzisoxazole-3-carboxylic acid (Kemp, D. S.; Paul, K. G. <i>J. Am. Chem. Soc</i>. <b>1975</b>, <i>97</i>, 7305).
employing the CODESSA program correlates the effect of 24 solvents with theoretical descriptors
to provide a straightforward interpretation of these solvent effects in terms of molecular parameters.
2001-05-10 00:00:00
interpretation
Molecular
CODESSA program correlates
acid
QSRR Treatment
24 solvents
nitrobenzisoxazole
parameter
decarboxylation rates
relationship
Descriptor
Solvent Effects
term
Kemp
Soc
Employing
Am
descriptor
Decarboxylation
Chem
Nitrobenzisoxazole