Nucleophiles as Reaction Switches: Dearomative Multifunctionalization of Isoquinoliniums t

A chemical dataset from figshare, authored by Zerong Guo and last updated on 2026-05-08. It contains data related to a dearomative multifunctionalization strategy for converting planar isoquinoliniums into three-dimensional bridged bis-tetrahydroisoquinolines. The dataset includes physicochemical property evaluations and PMI analysis to confirm three-dimensionality and drug-like profiles.

Use Cases

• Training predictive models for reaction outcomes based on nucleophile type and stereochemistry.
• Analyzing molecular three-dimensionality and drug-likeness based on PMI and physicochemical property data.
• Screening for novel chemical scaffolds in medicinal chemistry based on the described bridged-ring architectures.

Strengths

• Dataset is small at 13.2 KB, facilitating quick download and inspection.
• Includes physicochemical evaluation and PMI analysis, as mentioned in the description.
• Data is associated with a specific, peer-reviewed chemical methodology described in the title and description.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Likely contains experimental or computational results from the described chemical research.

Freshness

Last updated 2026-05-08 16:36:36; freshness should be verified.