{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570086",
  "ord_data_issue": null,
  "title": "High-throughput evaluation of in situ-generated cobalt(iii) catalysts for acyl fluoride synthesis",
  "doi": "10.1039/C7CY01519D",
  "journal": "Cat. Sci. Technol.",
  "publication_date": "2017-01-01",
  "authors": [
    "Graham M. Lee",
    "Roxanne Clément",
    "R. Tom Baker"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": null,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://pubs.rsc.org/en/content/articlelanding/2017/cy/c7cy01519d",
      "what": "RSC landing page (Catal. Sci. Technol. 2017, 7, 4996-5003); closed-access article with the main HTE results and scope",
      "license": "RSC standard terms (closed access; Crossref lists no license)"
    },
    {
      "url": "https://pubs.rsc.org/en/content/articlelanding/2017/cy/c7cy01519d",
      "what": "Supplementary information PDF (1844K), listed on the landing page. The direct suppdata URL returned 404 to a script, so contents were not inspected.",
      "license": "RSC standard terms"
    }
  ],
  "notes": "Source: Lee, Clément & Baker, Catal. Sci. Technol. 2017, 7, 4996 (doi:10.1039/C7CY01519D). High-throughput evaluation of CpRCo(I)(X)(L) complexes generated in situ for catalytic nucleophilic fluorination of benzoyl chloride, followed by a scope of acyl fluorides. The article is closed-access (RSC). There is one SI PDF (~1.8 MB) and no machine-readable data file. Reaction data must be transcribed from article tables/figures and the SI. No SMILES are provided, so structures (including the organometallic Co catalysts and ligands) must be drawn from names and schemes. Screening results may be shown as charts rather than numeric tables; check before starting.",
  "verification_caveats": "Catalysts are formed in situ from a Co precursor plus ligand/additive, so they must be modeled as separate inputs, not a single catalyst SMILES. Organometallic Co(III) Cp complexes are hard to express as valid SMILES. Screening outcomes may be NMR yields read from bar charts (approximate values). Two experiment types (catalyst screen and substrate scope) may belong in separate datasets."
}