{
"problem": {
"id": "prb_thbbbnduj0",
"slug": "ord-thomas-2024-pd-dmfu-precatalysts",
"title": "Alkene-Coordinated Palladium(0) Cross-Coupling Precatalysts: Comparing Oxidative Addition and Catalytic Reactivity for Dimethyl Fumarate and Maleic Anhydride Stabilizing Ligands",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. ChemRxiv 2024, DOI 10.26434/chemrxiv-2024-g4vxk. About 72 reactions · MTE. Source data: plate images or heatmaps."
},
"revision": {
"id": "prv_1j7ypmi10q",
"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:** Alkene-Coordinated Palladium(0) Cross-Coupling Precatalysts: Comparing Oxidative Addition and Catalytic Reactivity for Dimethyl Fumarate and Maleic Anhydride Stabilizing Ligands\n- **Authors:** Gilian T. Thomas, Jared Z. Litman, Binh Dang Ho et al.\n- **Published:** ChemRxiv, 2024-02-02\n- **DOI:** [10.26434/chemrxiv-2024-g4vxk](https://doi.org/10.26434/chemrxiv-2024-g4vxk)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570022)\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 72 reactions; MTE): 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: Thomas et al., ChemRxiv 2024, doi:10.26434/chemrxiv-2024-g4vxk, published as Organometallics 2024, doi:10.1021/acs.organomet.4c00065. About 72 reactions: catalytic comparisons of the air-stable DAB-Pd-DMFU (dimethyl fumarate) precatalyst, and phosphine-Pd-DMFU complexes formed in situ, against other Pd sources in Heck coupling, Suzuki-Miyaura coupling and Miyaura borylation. The data is presented as several 24-well array images. Read each well's conditions and outcome from the figures and cross-check against the SI experimental section. Structures are not provided as SMILES and must be drawn from the reaction schemes. Cite the paper DOI; the preprint is CC BY-NC-ND 4.0.\n\nKnown locations:\n\n- [https://doi.org/10.26434/chemrxiv-2024-g4vxk](https://doi.org/10.26434/chemrxiv-2024-g4vxk): ChemRxiv preprint and SI; catalytic comparisons shown as 24-well array images (per ORD notes) (license: CC BY-NC-ND 4.0 (preprint, per Crossref))\n- [https://doi.org/10.1021/acs.organomet.4c00065](https://doi.org/10.1021/acs.organomet.4c00065): Published version (Organometallics 2024) and its SI (license: ACS standard terms (closed))\n\n## Pitfalls\n\nValues are transcribed from images, so the reviewer must spot-check wells against the figures. Several reaction templates (Heck, Suzuki, borylation) may sit in one dataset. Precatalysts formed in situ (Pd source plus ligand) must be represented as separate inputs. Outcomes are likely assay yields or conversions from HTE analysis.\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:b06cb4a8815a968877239876173c2346821012301b4beae2ae0ca0996be70d73",
"size_bytes": 2558,
"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_thbbbnduj0",
"revision": "/api/problems/prb_thbbbnduj0/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-thomas-2024-pd-dmfu-precatalysts\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}