{
  "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=126570063",
  "ord_data_issue": null,
  "title": "ChemBead Enabled High-Throughput Cross-Electrophile Coupling Reveals a New Complementary Ligand",
  "doi": "10.1002/chem.202102347",
  "journal": "Chem Eur J",
  "publication_date": "2021-07-07",
  "authors": [
    "Ana L. Aguirre",
    "Nathan L. Loud",
    "Keywan A. Johnson",
    "Daniel J. Weix",
    "Ying Wang"
  ],
  "article_open_access": {
    "status": "green",
    "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://pmc.ncbi.nlm.nih.gov/articles/PMC8554800/",
      "what": "NIH author manuscript. The text describes 3 x 222 micromolar reactions, color-coded outcomes (green/yellow/red by MS detection and isolation purity) and isolated yields via mass-directed HPLC for some products. The listing shows one SI PDF (NIHMS1737435-supplement-supinfo.pdf), which was not downloaded (bot challenge).",
      "license": "unknown (NIH author manuscript)"
    },
    {
      "url": "https://doi.org/10.1002/chem.202102347",
      "what": "Publisher version (Chem Eur J, Wiley)",
      "license": "publisher terms (not open per OpenAlex)"
    }
  ],
  "notes": "ChemBeads-enabled HTE of Ni-catalyzed cross-electrophile coupling: aryl bromides with alkyl halides, Zn or Mn reductant coated on glass beads, several ligands including BpyCam. The paper reports an array of 3 x 222 micromolar reactions. The main-text outcomes are a color-coded grid: product ion observed at 10 umol scale, observed but not isolated in >95% purity at 100 umol, or no ion observed. Isolated yields by mass-directed HPLC are given for selected products, with ligand noted only where it mattered. A separate panel compares Zn powder with Zn@ChemBeads using GC yields against a 1,3,5-trimethoxybenzene internal standard. No machine-readable data file is known. The SI (PDF) has not been checked for a per-well table. Without one, outcomes can only be transcribed from figures as qualitative detection results, and substrate structures must be drawn.",
  "verification_caveats": "Outcomes are mostly qualitative (MS ion detected / not detected), with isolated yields only for a subset. Heterogeneous reductant on glass beads, with amounts given as bead mass and loading. Three ligand/condition sets across 222 substrate pairs. Transcription from a color grid is error-prone."
}