{
  "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=126870725",
  "ord_data_issue": null,
  "title": "Preparation of 2-Heteroaryl-indolin-3-ones by Acid-Mediated Intramolecular Cyclization in Batch and Flow",
  "doi": "10.1021/acs.orglett.5c00148",
  "journal": "Org Lett",
  "publication_date": "2025-02-08",
  "authors": [
    "Zeynep Saglam",
    "Shu-Yu Liu",
    "Yiding Chen",
    "Loïc R. E. Pantaine",
    "Matthew G. Lloyd",
    "Aaron J. Senior"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": 21,
  "experiment_type": "DOE",
  "ord_priority": "Medium",
  "ord_difficulty": "Easy",
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1021/acs.orglett.5c00148",
      "what": "Org. Lett. article landing page and ACS-hosted SI PDF with the tabulated 21-run DOE and the base/acid/solvent screens",
      "license": "ACS publisher terms (closed article)"
    }
  ],
  "notes": "Source: Saglam et al., Org. Lett. 2025, doi:10.1021/acs.orglett.5c00148. Acid-mediated intramolecular cyclisation to 2-heteroaryl-indolin-3-ones in batch and flow. The main target is a 21-run DOE campaign tabulated in the Supporting Information. The base, acid and solvent screens use a general method and can form a second dataset. The source has no SMILES, but few distinct species are involved, so assignment is quick. Record the DOE factor levels (e.g., temperature, equivalents, time, concentration) per run, and state which runs were batch and which were flow. The SI is ACS-hosted and not openly licensed. Cite it, but do not redistribute it.",
  "verification_caveats": "Any flow runs need flow-reactor representation (residence time, flow rates) in ORD, unlike the batch runs. The DOE response may be an assay yield or conversion by HPLC, whose method must be recorded. The screens and the DOE may be better split into two datasets."
}