Figure 4: Mechanism of the aza-Henry reaction. | Nature Communications

Figure 4: Mechanism of the aza-Henry reaction.

From: Metal-templated chiral Brønsted base organocatalysis

Figure 4

(a) Proposed hydrogen-bonded ternary complex composed of a simpified derivative of iridium catalyst Λ-IrBB3 (wheat), deprotonated (nitromethyl)benzene (yellow) and N-Boc-Schiff base 5a (green) leading to the transitions state for the formation of (1R,2S)-6a. The ternary complex was built with the molecular modelling software Scigress (Fujitsu) and represented with the PyMOL Molecular Graphics System, Version 1.3 Schrödinger, LLC. (b) ORTEP representation with 50% probability thermal ellipsoids of a crystal structure of (1R,2S)-6g. Solvent is omitted for clarity.

Back to article page