{
  "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=126884560",
  "ord_data_issue": null,
  "title": "One-Pot Multisubstrate Screening for Asymmetric Catalysis Enabled by 19F NMR-Based Simultaneous Chiral Analysis",
  "doi": "10.26434/chemrxiv-2024-hxfgm",
  "journal": "JACS",
  "publication_date": "2025-05-27",
  "authors": [
    "Donghun Kim",
    "G. M. Choi",
    "Hyunwoo Kim"
  ],
  "article_open_access": {
    "status": "green",
    "license": "cc-by-nc-nd"
  },
  "dataset_size_estimate": 500,
  "experiment_type": "one pot multi substrate",
  "ord_priority": "High",
  "ord_difficulty": "Hard",
  "source_data_kind": "plate_images_or_heatmaps",
  "smiles_in_source": "no",
  "needs_author_contact": true,
  "data_locations": [
    {
      "url": "https://chemrxiv.org/engage/chemrxiv/article-details/676e2d3a6dde43c908797898",
      "what": "ChemRxiv preprint (10.26434/chemrxiv-2024-hxfgm) and SI PDF with plate maps and compound-image arrays",
      "license": "CC BY-NC-ND (OpenAlex, preprint article licence; SI licence unverified)"
    },
    {
      "url": "https://doi.org/10.1021/jacs.5c03446",
      "what": "JACS version of record and SI",
      "license": "ACS publisher licence (Crossref stm-asf; closed)"
    }
  ],
  "notes": "Source: J. Am. Chem. Soc. 2025, DOI 10.1021/jacs.5c03446 (preprint DOI 10.26434/chemrxiv-2024-hxfgm): one-pot multi-substrate screening for asymmetric catalysis, with ee read out by simultaneous 19F NMR chiral analysis (about 500 data points). The data is in the SI PDF as plate maps and arrays of compound images. Structures must be transcribed to SMILES. Settle the representation before curating. Option A: each pot is one ORD reaction with several substrates and products. Option B: each substrate/product pair is its own ORD reaction, noting that it shared a pot. The article and preprint are not openly licensed for redistribution: cite the DOI.",
  "verification_caveats": "The representation choice (per pot vs per substrate pair) changes the reaction count and structure. Outcomes are ee values from mixture 19F NMR, not isolated yields. Transcribing structures from images risks identity errors. Plate-map transcription needs reviewer spot-checks."
}