{
"problem": {
"id": "prb_2eugtcla9s",
"slug": "ord-pawley-2022-hiyama-denmark-vinyl-silanes",
"title": "Development of a General Method for the Hiyama–Denmark Cross-Coupling of Tetrasubstituted Vinyl Silanes",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. ACS Catalysis 2022, DOI 10.1021/acscatal.2c03981. About 96 reactions · HTE. ORD wishlist priority High, difficulty Hard. Source data: data that must be requested from the authors."
},
"revision": {
"id": "prv_nj9fdn7xf0",
"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:** Development of a General Method for the Hiyama–Denmark Cross-Coupling of Tetrasubstituted Vinyl Silanes\n- **Authors:** Sarah B. Pawley, Allyssa M. Conner, Humair M. Omer et al.\n- **Published:** ACS Catalysis, 2022-10-12\n- **DOI:** [10.1021/acscatal.2c03981](https://doi.org/10.1021/acscatal.2c03981)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126846959)\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 96 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\nHiyama–Denmark cross-coupling of tetrasubstituted vinyl silanes (University of Delaware), ACS Catalysis 2022, DOI 10.1021/acscatal.2c03981. HTE ligand-screen results (about 96 reactions) appear in the SI PDF as tables and pie-chart images. The 99 MB SI zip holds only raw NMR FID data for isolated compounds, not screening data. The 96 ligands need identities and SMILES that the SI does not give in machine-readable form. An author-supplied screening table with ligand identities is needed before curation.\n\nKnown locations:\n\n- [https://doi.org/10.1021/acscatal.2c03981](https://doi.org/10.1021/acscatal.2c03981): Article landing page (ACS Catalysis) (license: unknown; OpenAlex green OA via PMC author manuscript (article, not data))\n- [https://acs.figshare.com/articles/journal_contribution/21320890](https://acs.figshare.com/articles/journal_contribution/21320890): SI PDF cs2c03981_si_001.pdf (15.9 MB): tables and pie charts per curator notes. Listing only, not downloaded. (license: CC BY-NC 4.0 (figshare label))\n- [https://acs.figshare.com/articles/dataset/21320893](https://acs.figshare.com/articles/dataset/21320893): SI zip cs2c03981_si_002.zip (99 MB). Its central-directory listing shows only Bruker NMR raw data (Products/ and Starting Materials/ FID folders) and no spreadsheets. (license: CC BY-NC 4.0 (figshare label))\n- [https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9933925](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9933925): PMC author manuscript (license: unknown)\n\n## Pitfalls\n\nLigand identities are the main gap. Pie-chart outcomes are qualitative or binned unless raw values are supplied. The isolated-yield scope table could be curated separately, but that is not the HTE data.\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": "sha256:0a2bbbdde6fe5d8fbb98acec14676252ed8e1892c0a963f13d139af428a21d32",
"size_bytes": 2619,
"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"
}
]
},
"score": null
},
"api": {
"problem": "/api/problems/prb_2eugtcla9s",
"revision": "/api/problems/prb_2eugtcla9s/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-pawley-2022-hiyama-denmark-vinyl-silanes\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}