This analysis can be done with the use of FICTS rules to modify structures by (F) removing small organic fragments, (I) ignoring isotopic labels, (C) neutralizing charges, (T) generating canonical tautomers
, (S) ignoring stereochemistry.
5) Valid QSAR modeling practice requires all chemicals to be structurally consistent by converting tautomers
to unique representations.
The E results of HNQ-azo-H and HNQ-H from the three computational procedures are consistent with the experimental results and indicate that the two tautomers
are not of similar stability and the keto-tautomer
is the structure that represents them.
Bonda has been teaching the industry about the instability of this and other ingredients for decades, but in this presentation, he focused on diketo tautomers
and diketo triplets and the role they play in the production of singlet oxygen, which is toxic to cells.
Taken together, the data obtained emphasize a significant role of the anil state (solution and film) in the occurrence of tautomers
in equilibrium between two different structures of the same compound.
THEORETICAL STUDY OF TWO TAUTOMERS
OF LOSARTAN IN GAS PHASE AND AQUEOUS SOLUTION.
The second step in the reaction is noncatalytic and involves reactions of hydrogen peroxide with the a-keto acid and enamine/imine tautomers
, which produces, eventually, the carboxylic acid of L-lysine and the oxidative product of the enamine/imine tautomers