{
  "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=132980617",
  "ord_data_issue": null,
  "title": "Rhodium-catalysed connective synthesis of diverse reactive probes bearing S(VI) electrophilic warheads",
  "doi": "10.3762/bjoc.21.150",
  "journal": "Beilstein Journal of Organic Chemistry",
  "publication_date": "2025-09-17",
  "authors": [
    "Scott Rice",
    "Julian Chesti",
    "William R. T. Mosedale",
    "Megan H. Wright",
    "Stephen P. Marsden",
    "Terry Smith",
    "Adam S. Nelson"
  ],
  "article_open_access": {
    "status": "diamond",
    "license": "cc-by"
  },
  "dataset_size_estimate": 144,
  "experiment_type": "HTE",
  "ord_priority": "Medium",
  "ord_difficulty": "Hard",
  "source_data_kind": "narrative_or_figures",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://www.beilstein-journals.org/bjoc/articles/21/150",
      "what": "Beilstein JOC article (HTML): Figure 2 panel B holds the ELSD-estimated yield grid for the HTE combinations, and Table 2 (HTML table) holds the outcomes and isolated yields of the purified reactions",
      "license": "CC-BY 4.0"
    },
    {
      "url": "https://www.beilstein-journals.org/bjoc/content/supplementary/1860-5397-21-150-S1.pdf",
      "what": "Supporting Information File 1 (7.0 MB PDF; listed, not downloaded): experimental part and NMR spectra",
      "license": "CC-BY 4.0 (journal license)"
    },
    {
      "url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12456075/",
      "what": "PMC mirror of the article (PMC12456075)",
      "license": "CC-BY 4.0"
    }
  ],
  "notes": "Source: Rice et al., Beilstein J. Org. Chem. 2025, 21, doi:10.3762/bjoc.21.150 (diamond OA, CC-BY 4.0). A Rh-catalysed HTE (about 144 reactions) of alpha-diazoamide substrates D1-D5 bearing S(VI) warheads with co-substrates C1-C18 and dirhodium catalysts. The setup was a 96-well glass-vial block in CH2Cl2 with solvent evaporation between additions, and a 48 h reaction. Estimated yields (UPLC-MS with ELSD) are shown in Figure 2 panel B; a dash means below 2%. Table 2 gives isolated yields after mass-directed purification of selected combinations. Structures are shown only as drawings (Scheme 1/Table 1, Figure 2A, Figure 3), so SMILES must be assigned. The experimental details are in SI File 1. The reporting is non-trivial: some wells give multiple products (a/b), and only selected wells were purified.",
  "verification_caveats": "The HTE outcomes are semi-quantitative ELSD estimates, and values below 2% are censored (shown as a dash). Wells can give several intermolecular products, and the reaction modes vary (O-H/N-H insertion, formal C-H insertion, cyclopropanation), so templates vary by well. Products from unpurified wells are not structurally characterised. A second round with D4, D5 and C17/C18 extends the grid. The dispensing/evaporation sequence needs careful input modelling."
}