Catalysis Kit

Asymmetric catalysis is governed by subtle, fleeting interactions at the transition state—and this kit is designed to make those interactions visible and understandable. The TS-Architect Kit allows researchers to construct and compare competing transition-state geometries using project-specific organocatalysts, chiral metal complexes, chiral substrates, reactive intermediates (enamines, iminium ions, ion pairs), and weak non-covalent interactions such as hydrogen bonding, π–π stacking, and steric shielding. Crucially, the models are fully maneuverable within the chemically allowed stereoelectronic space, enabling users to explore realistic conformational motion, interaction reorganization, and steric adjustments that a transition state can access. This dynamic manipulation makes it immediately clear which motions and interactions are feasible, which are forbidden, and how different mechanistic “fates” emerge from subtle geometric changes. EZChem customizes each kit to include the exact catalytic motifs relevant to the user’s system—including chiral backbones, substituent patterns, and interaction handles—enabling rapid pathway comparison, rationalization of enantioselectivity, and informed catalyst screening and redesign well before methodology development begins and without waiting for lengthy computational studies. 

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