{
  "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=126847751",
  "ord_data_issue": null,
  "title": "SuFEx Activation with Ca(NTf2)2: A Unified Strategy to Access Sulfamides, Sulfamates, and Sulfonamides from S(VI) Fluorides",
  "doi": "10.1021/acs.orglett.0c01397",
  "journal": "Org Lett",
  "publication_date": "2020-05-27",
  "authors": [
    "Subham Mahapatra",
    "Cristian P. Woroch",
    "Todd W. Butler",
    "Sabrina N. Carneiro",
    "Sabrina C. Kwan",
    "Samuel R. Khasnavis",
    "Junha Gu",
    "Jason K. Dutra",
    "Beth Cooper Vetelino",
    "Justin Bellenger",
    "Christopher W. am Ende",
    "Nicholas D. Ball"
  ],
  "article_open_access": {
    "status": "hybrid",
    "license": "other-oa"
  },
  "dataset_size_estimate": 100,
  "experiment_type": "parallel med chem",
  "ord_priority": "Medium",
  "ord_difficulty": "Hard",
  "source_data_kind": "si_spreadsheet_or_csv",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC7294807/",
      "what": "PMC copy. Its XML (NCBI efetch) lists two SI files: ol0c01397_si_001.pdf (general methods, LC-MS traces, procedures, NMR spectra) and ol0c01397_si_002.xlsx ('Pure lab results').",
      "license": "ACS AuthorChoice (non-commercial reuse)"
    },
    {
      "url": "https://doi.org/10.1021/acs.orglett.0c01397",
      "what": "Org. Lett. 2020 article and SI on pubs.acs.org. Not fetched because ACS blocks bots.",
      "license": "ACS AuthorChoice (non-commercial reuse)"
    },
    {
      "url": "https://doi.org/10.26434/chemrxiv.12026811.v1",
      "what": "ChemRxiv preprint, listed as has-preprint in Crossref. Not fetched.",
      "license": "unknown"
    }
  ],
  "notes": "Source: the SI of Org. Lett. 2020, 10.1021/acs.orglett.0c01397. A copy is also in PMC (PMC7294807). The SI has a PDF (methods, procedures, LC-MS traces, NMR) and an XLSX spreadsheet of parallel med chem results, about 100 reactions. Reactant and product structures appear only as images in the SI PDF, so SMILES must be made from them and matched to spreadsheet rows. The spreadsheet outcomes are described as qualitative analysis data. The chemistry is SuFEx activation of sulfamoyl fluorides, fluorosulfates and sulfonyl fluorides with Ca(NTf2)2 and DABCO. The article and SI are under ACS AuthorChoice (non-commercial) terms.",
  "verification_caveats": "Outcomes are partly qualitative (for example LC-MS pass/fail or purity), not isolated yields for every entry. Product SMILES come from images, so errors must be checked against the drawn structures. Spreadsheet identifiers must map to SI compound drawings. The dataset mixes individual substrate-scope reactions with a parallel library."
}