{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570098",
  "ord_data_issue": null,
  "title": "Direct Heterocycle C–H Alkenylation via Dual Catalysis Using a Palladacycle Precatalyst: Multifactor Optimization and Scope Exploration Enabled by High-Throughput Experimentation",
  "doi": "10.1021/acs.joc.3c02311",
  "journal": "JOC",
  "publication_date": "2024-01-11",
  "authors": [
    "Nahiane Pipaón Fernández",
    "Odhran D. Cruise",
    "S. Easton",
    "Justin M. Kaplan",
    "John L. Woodard",
    "Damian P. Hruszkewycz",
    "David C. Leitch"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": 192,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "unknown",
  "smiles_in_source": "unknown",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1021/acs.joc.3c02311",
      "what": "J. Org. Chem. article (2024) with Supporting Information containing HTE optimization and scope data",
      "license": "ACS publisher terms (closed article)"
    },
    {
      "url": "https://doi.org/10.26434/chemrxiv-2023-2ffdr",
      "what": "ChemRxiv preprint (Crossref has-preprint); may include SI files",
      "license": "unknown (ChemRxiv preprints usually CC BY-NC-ND 4.0; not verified)"
    }
  ],
  "notes": "Paper: Pipaón Fernández et al., J. Org. Chem. 2024, doi:10.1021/acs.joc.3c02311 (closed access; ChemRxiv preprint doi:10.26434/chemrxiv-2023-2ffdr). It covers direct heterocycle C-H alkenylation under Pd/dual catalysis with a palladacycle precatalyst. The ORD board estimates about 192 reactions across the multifactor HTE optimization and the scope exploration. No public repository or spreadsheet was found in a GitHub or Zenodo search. Check the journal SI and the preprint SI for tabulated plate results, which may be spreadsheets or PDF tables. Encode every catalyst, co-catalyst, additive, solvent and substrate with SMILES. Cite the paper DOI.",
  "verification_caveats": "Optimization plates and substrate scope may need separate handling, either as one dataset with different templates or as two datasets. HTE outcomes may be assay yields or LC area ratios rather than isolated yields, so the analysis type must be recorded correctly. Dual-catalyst systems need careful role assignment."
}