{
  "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=126570049",
  "ord_data_issue": null,
  "title": "High-Throughput Approach toward the Development of a Mizoroki–Heck Reaction To Access Tricyclic Spirolactones",
  "doi": "10.1021/acs.joc.0c00997",
  "journal": "JOC",
  "publication_date": "2020-06-16",
  "authors": [
    "James R. Annand",
    "Paul S. Riehl",
    "Danielle M. Schultz",
    "Corinna S. Schindler"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": null,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://pubs.acs.org/doi/10.1021/acs.joc.0c00997",
      "what": "J. Org. Chem. 2020, 85, 9071-9079 article and Supporting Information (HTE dataset tables per the ORD board notes)",
      "license": "ACS publisher copyright (article closed access; Crossref lists STM text-and-data-mining policy URLs only)"
    },
    {
      "url": "https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=DOI:%2210.1021/acs.joc.0c00997%22&format=json",
      "what": "Europe PMC record (PMID 32539398). Not in PMC and no free full text.",
      "license": "n/a (metadata)"
    }
  ],
  "notes": "J. Org. Chem. 2020, 85, 9071-9079 (DOI 10.1021/acs.joc.0c00997). Microscale high-throughput experiments were used to find and optimise an intramolecular Mizoroki-Heck reaction that builds the tricyclic spirolactone core of the ent-kaurene diterpenes. The HTE dataset tables are in the Supporting Information PDF, which ACS normally provides free. The article itself is closed access. No machine-readable data file or SMILES is known, so substrate and product structures must be drawn from the scheme figures and converted to SMILES. The size of the screen has not been confirmed.",
  "verification_caveats": "The complex polycyclic substrate and spirolactone product need careful stereochemistry in SMILES. Screening yields may be HPLC or assay yields against an internal standard rather than isolated yields, so the analysis type must be recorded correctly. Microscale plate conditions (catalyst and ligand loadings, bases, solvents) must be mapped per well from the SI tables."
}