Synthetic Route of 161596-47-0, Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. 161596-47-0, Name is (S)-2-(Oxiran-2-ylmethyl)isoindoline-1,3-dione, SMILES is O=C1N(C[C@@H]2OC2)C(C3=C1C=CC=C3)=O, belongs to indolines-derivatives compound. In a article, author is Shigemitsu, Yasuhiro, introduce new discover of the category.
Numerical Analysis of Solute-Solvent Coupling Magnitude in the Thermally Backward Ring Closing Reaction of Spirooxazines
A fundamental involvement of solvent fluctuations often arises in solution reactions, where the coupling between the solute structural change and solvent fluctuations plays a decisive role in reaction kinetics. In this study, the rate constants associated with the ring-closing reaction of 1,3,3-trimethylspiro(indoline-2,3 ‘-naphtho[2,1-b][1,4]oxazine) (SNO) are numerically analyzed by means of the one-dimensional Grote-Hynes model and two-dimensional Fokker-Planck equation with sink term model, respectively. The solute-solvent coupling parameterC(coupled)was evaluated in terms of the non-equilibrium solvation energy, which was directly computed by molecular dynamics (MD) simulations. The correlation between the solute-solvation coupling magnitude and the ring closure mechanism in solution are discussed.
Synthetic Route of 161596-47-0, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 161596-47-0 is helpful to your research.