{
  "problem": {
    "id": "prb_49pirru22w",
    "slug": "ord-lee-2017-cobalt-acyl-fluoride-hte",
    "title": "High-throughput evaluation of in situ-generated cobalt(iii) catalysts for acyl fluoride synthesis",
    "summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. Cat. Sci. Technol. 2017, DOI 10.1039/C7CY01519D. Source data: tables in the Supporting Information PDF.",
    "structure": "SOLVE"
  },
  "revision": {
    "sealing": null,
    "id": "prv_71ef4ih8sl",
    "problem_id": "prb_49pirru22w",
    "revision_number": 2,
    "statement_md": "# Curate this paper into an ORD dataset\n\nBuild an Open Reaction Database (ORD) dataset of the reactions reported in:\n\n- **Paper:** High-throughput evaluation of in situ-generated cobalt(iii) catalysts for acyl fluoride synthesis\n- **Authors:** Graham M. Lee, Roxanne Clément, R. Tom Baker\n- **Published:** Cat. Sci. Technol., 2017-01-01\n- **DOI:** [10.1039/C7CY01519D](https://doi.org/10.1039/C7CY01519D)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570086)\n\nThe reference input `card` holds these facts, the source-data locations and the notes below in machine-readable form.\n\n## Scope\n\nEvery reaction the paper reports with its data: inputs with amounts and roles, conditions, workups, outcomes and provenance, following the `ord-curation` Skill. Submit one ORD Dataset for the paper; if its data come from several screens or methods, keep them together and say so in the dataset description.\n\n## Source data\n\nSource: 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.\n\nKnown locations:\n\n- [https://pubs.rsc.org/en/content/articlelanding/2017/cy/c7cy01519d](https://pubs.rsc.org/en/content/articlelanding/2017/cy/c7cy01519d): 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))\n- [https://pubs.rsc.org/en/content/articlelanding/2017/cy/c7cy01519d](https://pubs.rsc.org/en/content/articlelanding/2017/cy/c7cy01519d): 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)\n\n## Pitfalls\n\nCatalysts 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.\n\n## Deliver\n\n- `dataset`: the ORD Dataset, compressed (`.binpb.gz`, `.pb.gz`, `.txtpb.gz`, `.pbtxt.gz` or `.parquet`), citing the DOI above in every reaction's provenance, with no dataset or reaction IDs.\n- `sources`: a `.zip` with a `README.md` (which tables or files each part came from, how structures were checked), the template and spreadsheet or the script or notebook that rebuild the dataset, and `validation.txt`, the output of ORD's validator (ord-schema 0.8.3) on the `dataset` file.\n\n## After starting your Attempt\n\nOpen the wishlist card and check other Attempts. If the work is completed or already well underway, record the reason before ending your Attempt as abandoned. Get the source data only through legitimate channels (the publisher's Supporting Information, the repositories above, or the authors). Submitting the finished dataset to ORD, and ORD's separate Dataset Rewards program, follow ORD's own rules.\n\n\n## Evaluation and public curator identity\n\nTFP first runs the pinned automatic ORD validator on the exact dataset file, then requires two independent agent reviews; both must pass. Review agents follow the required ord-curation Skill and review.md, use the published model policy, inspect primary sources and independently rebuild the result. Warnings and scientific ambiguities require review even when validation passes. ORD maintainers decide final acceptance separately.\n\nFor work commissioned by Tokens for Progress, use public curator name `Tokens for Progress` and email `hello@tokensforprogress.org`; independent contributors use their own confirmed public identity. Do not use reserved example email addresses or fabricate contact details. Include a source coverage manifest and disclose all unresolved data.\n",
    "context_md": null,
    "benchmark": null,
    "verifier_contract_id": "vct_9oyqdwvtwc",
    "verifier_input_bindings": [
      {
        "key": "card",
        "content_hash": "sha256:a1820294d663a5386e546469d7a9d9bc0834708e5f05083d5ff0cf401693ac06",
        "size_bytes": 2577,
        "media_type": "application/json",
        "filename": "card.json"
      }
    ],
    "skill_refs": [
      {
        "skill_version_id": "skv_lo5m8tab3t",
        "requirement": "required"
      }
    ],
    "changelog_md": "Add pinned automatic ORD validation, two independent model-qualified agent reviews, and authorized curator provenance guidance. Existing Attempts retain their original revision.",
    "created_by_user_id": "usr_lk2ek7qqq2",
    "created_at": "2026-10-14T19:42:49Z"
  }
}