{
"problem": {
"id": "prb_wen6gp7wu8",
"slug": "ord-narayanan-2025-cobalt-ch-arylation-hte",
"title": "A Low-Yield Reaction Is Still a Result: A Study on Grignard Reagent Free Cobalt Catalyzed C(sp2)-H Arylation",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. ChemRxiv 2025, DOI 10.26434/chemrxiv-2025-qw468. About 250 reactions · HTE. ORD wishlist priority High, difficulty Normal. Source data: tables in the Supporting Information PDF."
},
"revision": {
"id": "prv_xebjzlbafe",
"revision_number": 1,
"created_at": "2026-09-25T19:27:21Z",
"changelog_md": null,
"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:** A Low-Yield Reaction Is Still a Result: A Study on Grignard Reagent Free Cobalt Catalyzed C(sp2)-H Arylation\n- **Authors:** N. Narayanan, Laurent Lefort, Maëva Mercier et al.\n- **Published:** ChemRxiv, 2025-04-16\n- **DOI:** [10.26434/chemrxiv-2025-qw468](https://doi.org/10.26434/chemrxiv-2025-qw468)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126824886)\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 (the wishlist estimates about 250 reactions; HTE): 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: ChemRxiv preprint 10.26434/chemrxiv-2025-qw468 (cobalt-catalysed C(sp2)-H arylation without Grignard reagents; Janssen / TU Wien). About 250 HTE reactions. The reaction data are tables in the SI, which is in the same PDF as the main article. A SMILES list for some chemicals appears later in the SI; the remaining reagents must be converted from names or structures to SMILES. Many results are low-yield or negative, and these are the point of the dataset, so record zero and low yields explicitly and do not drop them. The preprint is CC-BY-NC-ND 4.0. Crossref shows no journal version yet. If one appears, check whether the data changed and cite the version you used.\n\nKnown locations:\n\n- [https://doi.org/10.26434/chemrxiv-2025-qw468](https://doi.org/10.26434/chemrxiv-2025-qw468): ChemRxiv preprint. Main text and SI are in one PDF with HTE result tables; later SI pages list SMILES for some chemicals (license: CC-BY-NC-ND 4.0 (per Crossref))\n\n## Pitfalls\n\nOutcomes are mostly low or zero yields, so check that ORD outcomes represent failed reactions correctly (product with yield 0, analysis method stated). Data must be transcribed from PDF tables, which risks row/column errors, so spot-checking against the PDF is needed. Only some chemicals have SMILES; the rest need name-to-structure conversion, which is error-prone for catalysts and ligands. The yield type (GC, NMR or isolated) must be taken from the SI text.\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,
"skill_refs": [
{
"skill_version_id": "skv_k5sivlohu1",
"requirement": "required"
}
],
"verifier_contract_id": "vct_4t6ri8zibj",
"verifier_input_bindings": [
{
"key": "card",
"content_hash": "sha256:d4a3f2629faeb6ed59b97bea021adb83b6b2365c2297ea4bbc214645eb2fa654",
"size_bytes": 2394,
"media_type": "application/json",
"filename": "card.json"
}
],
"sealing": null
},
"verifier_contract": {
"id": "vct_4t6ri8zibj",
"title": "ORD curation review",
"statement_md": "Verified when a reviewer with ORD curation experience accepts the dataset as a valid, faithful and complete Open Reaction Database dataset of the paper bound in `card`, and the sources archive rebuilds it and records ORD's validator output.",
"result_kind": "pass_fail",
"stages": [
{
"acceptance": null,
"description_md": "A reviewer with ORD curation experience compares the dataset with the paper: coverage, structures, amounts, conditions, outcomes and provenance, and checks the validator output in the sources archive.",
"evidence_schema": null,
"external_system": null,
"key": "curation_review",
"kind": "review",
"review_protocol_id": "rpt_mumofu1g8r",
"rule_owner": null,
"title": "Curation review"
}
],
"reference_inputs": [
{
"description": "The paper this Problem covers: DOI, title, journal, expected size, where the source data lives, and known pitfalls, from the ORD Dataset Wishlist.",
"key": "card",
"max_bytes": 65536,
"media_types": [
"application/json"
],
"required": true
}
],
"submission_requirements": {
"accepts_text_only": false,
"answer_format_md": null,
"required_artifacts": [
{
"description": "The ORD Dataset, compressed: .binpb.gz, .pb.gz, .txtpb.gz, .pbtxt.gz or .parquet. No dataset or reaction IDs.",
"max_bytes": 26214400,
"media_types": [],
"role": "dataset"
},
{
"description": "A .zip with a README, 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.",
"max_bytes": 26214400,
"media_types": [],
"role": "sources"
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]
},
"score": null
},
"api": {
"problem": "/api/problems/prb_wen6gp7wu8",
"revision": "/api/problems/prb_wen6gp7wu8/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-narayanan-2025-cobalt-ch-arylation-hte\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}