{
  "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=126616690",
  "ord_data_issue": null,
  "title": "Van Leusen Imidazole Synthesis for One-Bead-One-Compound DNA-Encoded Libraries",
  "doi": "10.1021/acs.bioconjchem.5c00317",
  "journal": "Bioconjugate Chemistry",
  "publication_date": "2025-08-23",
  "authors": [
    "Yihui Xie",
    "Min-Chi Huang",
    "Yanfen Jiang",
    "Xiaoming Miao",
    "Haopei Wang",
    "Qi Zhang",
    "Dongcheng Dai",
    "Xiangzhi Zeng",
    "Qingmin Yang",
    "Wenji Su",
    "Alexander Lee Satz",
    "Letian Kuai"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": 300,
  "experiment_type": "DNA encoded library",
  "ord_priority": "Low",
  "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/acs.bioconjchem.5c00317",
      "what": "ACS Bioconjugate Chemistry article (closed access) plus SI tables. Not fetched because ACS blocks automated access. Europe PMC indexes it with no OA copy or supplement",
      "license": "ACS standard (Crossref TDM policy links only)"
    }
  ],
  "notes": "Van Leusen imidazole synthesis (TosMIC chemistry) adapted to one-bead-one-compound DNA-encoded libraries (WuXi AppTec). About 300 reactions are reported in SI tables. Building blocks are drawn as structure images, not given as names or SMILES, so an agent needs optical structure recognition or manual transcription. The article is closed access; the SI is typically downloadable from the publisher page (verify). If the authors can provide the table data in a structured format, extraction effort drops sharply. Cite DOI 10.1021/acs.bioconjchem.5c00317.",
  "verification_caveats": "Substrates are DNA- and bead-conjugated, so the full conjugate cannot be expressed as a simple SMILES. The dataset needs a convention: the small-molecule portion with a documented attachment/linker placeholder, or ORD identifiers of type NAME/CUSTOM. Outcomes are likely LC-MS conversion percentages on DNA, not isolated yields. There may be multiple building-block classes (aldehydes, amines, TosMIC reagents) within one template."
}