{
"problem": {
"id": "prb_ve0004srls",
"slug": "ord-newman-2018-carbonyl-heck-hte",
"title": "A High-Throughput Approach to Discovery: Heck-Type Reactivity with Aldehydes",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. Synlett 2018, DOI 10.1055/s-0037-1610161. Source data: data that must be requested from the authors."
},
"revision": {
"id": "prv_vgkbid6k1z",
"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 High-Throughput Approach to Discovery: Heck-Type Reactivity with Aldehydes\n- **Authors:** Stephen G. Newman, Jaya Kishore Vandavasi\n- **Published:** Synlett, 2018-06-12\n- **DOI:** [10.1055/s-0037-1610161](https://doi.org/10.1055/s-0037-1610161)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570067)\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\nThis Synlett 2018 account covers high-throughput discovery of a carbonyl-Heck reaction: intermolecular coupling of organotriflates with aldehydes to give ketones. The article is paywalled (Thieme). An earlier ORD curation attempt could not obtain the underlying screening data, and the SI could not be inspected. The data will probably need to come from the authors. Pitfalls: an account/review-style article may summarise screens reported in more detail in primary papers, and the HTE results may be shown only as figures or heatmaps.\n\nKnown locations:\n\n- [https://www.thieme-connect.de/products/ejournals/abstract/10.1055/s-0037-1610161](https://www.thieme-connect.de/products/ejournals/abstract/10.1055/s-0037-1610161): Thieme landing page and SI (returned a bot-check page; not inspected) (license: closed (Thieme))\n\n## Pitfalls\n\nData availability and format are unknown. HTE screens may be shown only as plate heatmaps. The account may overlap with primary publications from the same group, which risks duplicate reactions in ORD.\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:afeed5598d838c18b53093ae16c6a4edcd681cab3d9276f8b5bf5a73fdab0bd9",
"size_bytes": 1857,
"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_ve0004srls",
"revision": "/api/problems/prb_ve0004srls/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-newman-2018-carbonyl-heck-hte\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}