{
  "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=126570068",
  "ord_data_issue": null,
  "title": "Microscale purification in support of high-throughput medicinal chemistry",
  "doi": "10.1039/D1CC03791A",
  "journal": "Chem Commun.",
  "publication_date": "2021-01-01",
  "authors": [
    "Chandan L. Barhate",
    "Andrew F. Donnell",
    "Merrill L. Davies",
    "Ling Li",
    "Yong Zhang",
    "Fukang Yang",
    "Regina M. Black",
    "Greg Zipp",
    "Yingru Zhang",
    "Cullen L. Cavallaro",
    "E. Scott Priestley",
    "Harold N. Weller"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": 50,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "unknown",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1039/D1CC03791A",
      "what": "Chem. Commun. 2021 article and ESI (RSC site returned a bot challenge; ESI not inspected)",
      "license": "RSC, closed access (Crossref lists only RSC terms of use for the accepted manuscript)"
    }
  ],
  "notes": "Microscale (1-5 µmol, 0.5-2 mg) library synthesis with a high-throughput purification workflow for 384-well plates, from Barhate et al., Chem. Commun. 2021 (doi:10.1039/D1CC03791A), about 50 reactions. The paper focuses on purification method development (column loading, delay-time calibration, pre- and post-purification analysis). Its library purification examples are the reaction-level content suitable for ORD, expected in the article and the ESI PDF. ORD records should capture the synthesis step and the purification workup (preparative LC) with recovered amount or purity as outcomes. Confirm that the reactant structures and conditions are fully reported before starting. The ORD Dataset must cite the paper DOI.",
  "verification_caveats": "Outcomes may be purification recoveries or purities rather than reaction yields. Reaction conditions for the library syntheses may be given generically (one general procedure for many wells). Structures must be transcribed."
}