Nickel-Catalyzed Reductive Cyclization of Alkynes and Esters via Oxanickelacycle Formation

A 104.4 KB dataset from figshare, last updated on June 2, 2026, details a nickel-catalyzed reductive cyclization reaction. The data, authored by Yuki Ando, supports a study reporting the conversion of phenyl esters to cyclic ketones under mild conditions. It includes results from mechanistic investigations combining density functional theory (DFT) calculations and experimental studies.

Use Cases

• Training mechanistic models based on DFT calculation data mentioned in the description
• Benchmarking catalyst performance for reductive cyclization reactions of alkynes and esters
• Validating theoretical reaction pathways against experimental kinetic and product data

Strengths

• Dataset is small (104.4 KB), ensuring fast download and processing
• Includes data from both DFT calculations and experimental studies, providing a multi-faceted view
• Mechanistic pathway is explicitly detailed in the source description

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• Data may reflect the specific experimental and theoretical bias inherent to the single-source study on figshare

Provenance

Source

figshare

Collection Method

Likely contains experimental and computational data generated for the associated research publication.

Freshness

Last updated 2026-06-02 13:08:36; freshness should be verified