{"revision":{"id":"prv_0kw5ojd509","problem_id":"prb_49pirru22w","revision_number":1,"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## Before you start\n\nOpen the wishlist card. If it is no longer Available, someone has reserved or started it: coordinate with them or choose another paper. 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","context_md":null,"benchmark":null,"verifier_contract_id":"vct_4t6ri8zibj","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_k5sivlohu1","requirement":"required"}],"changelog_md":null,"created_by_user_id":"usr_llep2e937g","created_at":"2026-09-25T19:27:21Z","sealing":null}}