{
  "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=126846013",
  "ord_data_issue": null,
  "title": "Palladium-Catalyzed Enantioselective Arylation of Aryl Sulfenate Anions: A Combined Experimental and Computational Study",
  "doi": "10.1021/jacs.7b03623",
  "journal": "JACS",
  "publication_date": "2017-05-24",
  "authors": [
    "Tiezheng Jia",
    "Mengnan Zhang",
    "Samuel P. McCollom",
    "Ana Bellomo",
    "Sonia Montel",
    "Jianyou Mao",
    "Spencer D. Dreher",
    "Christopher J. Welch",
    "Erik L. Regalado",
    "R. Thomas Williamson",
    "Brian C. Manor",
    "Neil C. Tomson"
  ],
  "article_open_access": {
    "status": "green",
    "license": "cc-by-nc-sa"
  },
  "dataset_size_estimate": 100,
  "experiment_type": "HTE",
  "ord_priority": "Medium",
  "ord_difficulty": "Hard",
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1021/jacs.7b03623",
      "what": "JACS article landing page and ACS-hosted SI PDF (table with chemical structures)",
      "license": "ACS publisher terms (not open)"
    },
    {
      "url": "http://hdl.handle.net/11336/51595",
      "what": "Green OA copy of the manuscript listed by OpenAlex (CONICET repository); the handle did not resolve when checked, and the SI is probably not included",
      "license": "cc-by-nc-sa (per OpenAlex; applies to the manuscript, not the SI)"
    }
  ],
  "notes": "Source: Jia et al., J. Am. Chem. Soc. 2017, doi:10.1021/jacs.7b03623. Pd-catalysed enantioselective arylation of aryl sulfenate anions, about 100 HTE reactions. The data is in the Supporting Information PDF as a table with chemical structure drawings. Every species needs SMILES assigned from the drawings, with correct stereochemistry for the chiral ligands and the S-stereogenic sulfoxide products. Record enantioselectivity (ee/er) as well as yield where given. The SI is ACS-hosted and not openly licensed. Cite it, but do not redistribute it.",
  "verification_caveats": "Enantioselective outcomes need ee values and stereo-defined SMILES for the chiral ligands and sulfoxide products. Structures come only as images, so reviewers must check SMILES against the drawings. The screen may vary ligand and conditions across a single template. The computational part of the paper is out of scope."
}