{
"problem": {
"id": "prb_ce7wd3siqb",
"slug": "ord-zell-2021-ni-tetrasubstituted-alkenes",
"title": "Stereoconvergent and -divergent Synthesis of Tetrasubstituted Alkenes by Nickel-Catalyzed Cross-Couplings",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. JACS 2021, DOI 10.1021/jacs.1c08399. Source data: not yet identified."
},
"revision": {
"id": "prv_pep23i5nu5",
"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:** Stereoconvergent and -divergent Synthesis of Tetrasubstituted Alkenes by Nickel-Catalyzed Cross-Couplings\n- **Authors:** Daniel Zell, Cian Kingston, Janis Jermaks et al.\n- **Published:** JACS, 2021-11-04\n- **DOI:** [10.1021/jacs.1c08399](https://doi.org/10.1021/jacs.1c08399)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570059)\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\nNi-catalysed cross-couplings giving stereodefined tetrasubstituted alkenes (JACS 2021; academic-industrial collaboration with data-science ligand analysis). A ChemRxiv preprint exists (10.26434/chemrxiv-2021-sb0fn) and may offer a more accessible SI than the ACS page. The data format (screening tables, ligand descriptor spreadsheets, substrate scope) has not been checked. Scope first which tables are reaction data. Ligand-descriptor or regression tables are not reactions.\n\nKnown locations:\n\n- [https://doi.org/10.1021/jacs.1c08399](https://doi.org/10.1021/jacs.1c08399): JACS 2021 article and SI (not fetched; ACS blocks automated access). (license: closed article (ACS))\n- [https://doi.org/10.26434/chemrxiv-2021-sb0fn](https://doi.org/10.26434/chemrxiv-2021-sb0fn): ChemRxiv preprint, which may carry SI files (the ChemRxiv API returned a Cloudflare challenge). (license: unknown (ChemRxiv licences vary))\n\n## Pitfalls\n\nOutcomes probably include E/Z ratios or stereoselectivity as well as yields. They need selectivity measurements and correct alkene stereochemistry in SMILES. Organometallic coupling partners need careful representation. There may be several reaction templates (stereoconvergent vs stereodivergent).\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": "sha256:483fd83a7ff158498277f4bf89161d1afd6536ce74db5133a7dbf8d1ea5d8a58",
"size_bytes": 2288,
"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_ce7wd3siqb",
"revision": "/api/problems/prb_ce7wd3siqb/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-zell-2021-ni-tetrasubstituted-alkenes\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}