{
  "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=126570053",
  "ord_data_issue": null,
  "title": "Leveraging High-Throughput Experimentation to Drive Pharmaceutical Route Invention: A Four-Step Commercial Synthesis of Branebrutinib (BMS-986195)",
  "doi": "10.1021/acs.oprd.1c00443",
  "journal": "OPRD",
  "publication_date": "2022-02-15",
  "authors": [
    "Jason M. Stevens",
    "Eric M. Simmons",
    "Yichen Tan",
    "Alina Borovika",
    "Junying Fan",
    "Robert V. Forest",
    "Peng Geng",
    "Carlos Guerrero",
    "Sha Lou",
    "Dimitri B. Skliar",
    "Sarah E. Steinhardt",
    "Neil A. Strotman"
  ],
  "article_open_access": {
    "status": "closed",
    "license": null
  },
  "dataset_size_estimate": null,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "plate_images_or_heatmaps",
  "smiles_in_source": "no",
  "needs_author_contact": true,
  "data_locations": [
    {
      "url": "https://pubs.acs.org/doi/10.1021/acs.oprd.1c00443",
      "what": "OPRD 2022, 26, 1174-1183 article page (closed access). HTE-driven four-step route to branebrutinib including an indolization step. No SI listing seen.",
      "license": "ACS standard (closed)"
    },
    {
      "url": "https://api.figshare.com/v2/articles/search",
      "what": "figshare search for ACS SI DOIs 10.1021/acs.oprd.1c00443.s001-s003 and title: no results",
      "license": "n/a"
    }
  ],
  "notes": "Source: Stevens et al., Org. Process Res. Dev. 2022, 26, 1174 (doi:10.1021/acs.oprd.1c00443). Describes invention of a four-step commercial route to branebrutinib (BMS-986195), using parallel HTE across the proposed steps, including a novel indolization. The article is closed-access, and no supporting-information files were found. HTE results are expected to appear only as figures or heatmaps in the article. Plate-level numeric data would have to be released by the authors, and this has not been confirmed.",
  "verification_caveats": "Multiple HTE screens across different steps/reaction types, so likely several datasets. Heatmap-derived outcomes are approximate (assay yield / LCAP). Some screening components may be named only generically (ligand/catalyst kits). Process-scale results would be separate records."
}