10.1021/jo0011843.s001
Alan R. Katritzky
Alan R.
Katritzky
Subbu Perumal
Subbu
Perumal
Ruslan Petrukhin
Ruslan
Petrukhin
A QSRR Treatment of Solvent Effects on the Decarboxylation of
6-Nitrobenzisoxazole-3-carboxylates Employing Molecular
Descriptors
American Chemical Society
2001
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
2001-05-10 00:00:00
Journal contribution
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.