{
  "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=126569959",
  "ord_data_issue": null,
  "title": "ChemBeads-Enabled Photoredox High-Throughput Experimentation Platform to Improve C(sp2)–C(sp3) Decarboxylative Couplings",
  "doi": "10.1021/acsmedchemlett.2c00538",
  "journal": "ACS Med Chem Lett",
  "publication_date": "2023-03-16",
  "authors": [
    "Nathan J. Gesmundo",
    "Noah P. Tu",
    "Kathy Sarris",
    "Ying Wang"
  ],
  "article_open_access": {
    "status": "green",
    "license": null
  },
  "dataset_size_estimate": null,
  "experiment_type": "HTE, photo, chembeads",
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "si_spreadsheet_or_csv",
  "smiles_in_source": "unknown",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10108395/",
      "what": "PMC copy listing SI: ml2c00538_si_001.pdf (experimental and characterization, 10 MB), si_002.xlsx (dispenser weight accuracy, 26 KB), si_003.xlsx (full HTE data table for Figure 4, 356 KB), si_004.xlsx (parallel library synthesis data for Figure 5). Only the listing was read. The xlsx downloads returned a bot challenge.",
      "license": "unknown (PMC copy; publisher ACS)"
    },
    {
      "url": "https://pubs.acs.org/doi/10.1021/acsmedchemlett.2c00538?goto=supporting-info",
      "what": "Publisher SI page with the same four files",
      "license": "publisher (ACS) terms"
    }
  ],
  "notes": "ACS Med Chem Lett paper on ChemBeads-enabled photoredox HTE for C(sp2)-C(sp3) decarboxylative couplings. The SI has two relevant spreadsheets. ml2c00538_si_003.xlsx is the full HTE data table behind Figure 4. ml2c00538_si_004.xlsx is the full parallel library synthesis table behind Figure 5. ml2c00538_si_002.xlsx holds bead-dispensing weight data and is not reaction data. The SI PDF (about 10 MB) has general procedures, photoreactor setup and characterization. Neither spreadsheet has been inspected, so it is unknown whether they contain SMILES or only compound IDs. If only IDs are present, structures must be drawn from the SI PDF. The HTE screen and the library synthesis can be separate ORD datasets. Record the light source, wavelength and ChemBead loading (reagent-coated glass beads) in the ORD illumination and input fields.",
  "verification_caveats": "Photochemical conditions need illumination metadata. ChemBeads are reagent-coated glass beads, so amounts depend on bead loading (wt%). HTE outcomes may be UPLC area percent or conversion rather than yields. Contents of the XLSX files are unverified, and compound identifiers may need mapping to structures."
}