Rh-Catalyzed C–H Annulation Reaction Data for Imines and Alkynes

Ying Yang published a dataset on figshare in June 2026 describing the role of noncoordinating halogen groups in Rh-catalyzed C–H active [3+2] annulation reactions. The data likely contains experimental results showing how chloro groups regulate regioselectivity and chemoselectivity between imines and alkynes. It provides up to single-regioisomeric level selectivity for ketimines and controls product formation for acyclic aldimines.

Use Cases

• Training ML models to predict regioselectivity outcomes based on alkyne halogen substituents.
• Benchmarking computational chemistry simulations against experimental reaction data.
• Analyzing chemoselectivity trends between addition and dehydrogenation products for different imine substrates.

Strengths

• The dataset is 35.7 MB, indicating a substantial volume of experimental data.
• The description provides specific, chemically relevant outcomes, such as 'single-regioisomeric level selectivity' and control over addition versus dehydrogenation products.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for large-scale analysis.
• The dataset is licensed under CC-BY-NC-4.0, restricting commercial use.

Provenance

Source

figshare

Freshness

Last updated 2026-06-02 16:41:44; freshness should be verified.