Application of 161596-47-0, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 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 Wen, Ming, introduce new discover of the category.
Mechanism and enantioselectivity of the asymmetric [3+2]-annulation between N-methylindole and enoldiazoacetamide catalyzed by prolinate-coordinated dirhodium: A theoretical study
The mechanistic study of Rh-2(S-MSP)(4)-catalyzed asymmetric [3 + 2]-annulation of N-methylindole and enoldiazoacetamide carbenoid to produce C2,C3-fused indole skeleton has been carried out by combining the density functional theory and semi-empirical method with ONIOM methodology. The mechanism and origin of enantioselectivity were disclosed by our calculations. The cycloaddition process was initiated by vinylogous attack of indole on the mot terminus of carbenoid, which was considered to be the enantio-controlling step. Followed by ring closure step where C-Rh bond adds to the iminium, adduct was afforded enantioselectively. The rate-controlling step, depending on the pathways the reaction proceeds along, could be either one of the two steps. Moreover, we elucidated the effect of weak interaction on the enantioselectivity using the independent gradient model analysis and provided possible insight into reaction design. The catalytic cycle was also kinetically interpreted in a non conventional way, which is the energetic span model, realized by the AUTOF program. (C) 2019 Elsevier Inc. All rights reserved.
Application of 161596-47-0, Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. The slowest step in a reaction mechanism is the rate-determining step.you can also check out more blogs about 161596-47-0.