{
  "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=126570055",
  "ord_data_issue": null,
  "title": "Pharmaceutical diversification via palladium oxidative addition complexes",
  "doi": "10.1126/science.aac6153",
  "journal": "Science",
  "publication_date": "2019-01-25",
  "authors": [
    "Mycah R. Uehling",
    "Ryan P. King",
    "Shane W. Krska",
    "Tim Cernak",
    "Stephen L. Buchwald"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": null,
  "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://www.science.org/doi/10.1126/science.aac6153",
      "what": "Science 2019 article and supplementary materials (returned HTTP 403 to automated fetch).",
      "license": "closed article (AAAS); SI licence unknown"
    }
  ],
  "notes": "Late-stage diversification of drug molecules via isolated Pd(II) oxidative addition complexes (Science 2019, academic-industrial collaboration). Data source: the supplementary materials PDF on science.org, which must be downloaded manually. Its format (numeric tables vs heatmap figures) has not been confirmed. Scope first whether the coupling results are quantitative yields or qualitative (e.g. MS-detected) outcomes.",
  "verification_caveats": "Pd oxidative addition complexes used as reactants are organometallic species that are hard to encode as SMILES (dative bonds, ligand-bound Pd). Outcomes may be qualitative or relative (MS detection, heatmap colours). The work may span several coupling types (C-N, C-O, C-S, C-C), i.e. multiple templates."
}