{
"problem": {
"id": "prb_3j8meob7ud",
"slug": "ord-fier-2017-cu-hydroxylation",
"title": "Reagent Design and Ligand Evolution for the Development of a Mild Copper-Catalyzed Hydroxylation Reaction",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. Org Lett 2017, DOI 10.1021/acs.orglett.7b01403. About 384 reactions. Source data: tables in the Supporting Information PDF."
},
"revision": {
"id": "prv_i9z9kya8tb",
"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:** Reagent Design and Ligand Evolution for the Development of a Mild Copper-Catalyzed Hydroxylation Reaction\n- **Authors:** Patrick S. Fier, Kevin M. Maloney\n- **Published:** Org Lett, 2017-05-18\n- **DOI:** [10.1021/acs.orglett.7b01403](https://doi.org/10.1021/acs.orglett.7b01403)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570094)\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 384 reactions): 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\nData source: the Supporting Information PDF of Org. Lett. 2017 (ACS). According to the ORD wishlist it has a data table of about 384 screening reactions for Cu-catalysed hydroxylation of aryl halides, which varied hydroxide-surrogate reagents and ligands. The article is not open access, and the SI must be downloaded manually from the ACS page. Ligands and reagents are likely drawn or coded in the SI, so they need converting to SMILES. Confirm the outcome type (assay yield, conversion or area %) before encoding.\n\nKnown locations:\n\n- [https://doi.org/10.1021/acs.orglett.7b01403](https://doi.org/10.1021/acs.orglett.7b01403): Org. Lett. 2017 article and SI PDF with the screening data table (per ORD notes); not fetched. (license: closed article (ACS); SI licence unknown)\n\n## Pitfalls\n\nScreening table in PDF form. Reagent and ligand identities may be coded (e.g. L1-Lx) with structures only in figures. The outcome type is unverified.\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": "sha256:5c4f8ef4902e392ca5b335a81b332f84cacb69042533174a7704c69a53bc5d49",
"size_bytes": 1818,
"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": [],
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"score": null
},
"api": {
"problem": "/api/problems/prb_3j8meob7ud",
"revision": "/api/problems/prb_3j8meob7ud/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-fier-2017-cu-hydroxylation\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}