{
  "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=126570066",
  "ord_data_issue": null,
  "title": "Rapid Optimization of Photoredox Reactions for Continuous-Flow Systems Using Microscale Batch Technology",
  "doi": "10.1021/acscentsci.1c00303",
  "journal": "ACS Central Science",
  "publication_date": "2021-06-08",
  "authors": [
    "María González‐Esguevillas",
    "David F. Fernández",
    "Juan A. Rincón",
    "Mario Barberis",
    "Óscar de Frutos",
    "Carlos Mateos",
    "Susana García‐Cerrada",
    "Javier Agejas",
    "David W. C. MacMillan"
  ],
  "article_open_access": {
    "status": "diamond",
    "license": "cc-by-nc-nd"
  },
  "dataset_size_estimate": null,
  "experiment_type": null,
  "ord_priority": null,
  "ord_difficulty": null,
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://www.ebi.ac.uk/europepmc/webservices/rest/PMC8323116/fullTextXML",
      "what": "Full text (PMC8323116). One supplementary file, oc1c00303_si_001.pdf. Reaction classes: decarboxylative C-C arylation, decarboxylative C-N coupling, silane-mediated cross-electrophile coupling, and Ni/photoredox C-O coupling. HTE ran in a 96-well FLOSIM plate device with UPLC analysis, followed by flow validation.",
      "license": "CC BY-NC-ND 4.0 (article licence; the SI licence is not separately stated)"
    },
    {
      "url": "https://www.ebi.ac.uk/europepmc/webservices/rest/PMC8323116/supplementaryFiles",
      "what": "Europe PMC supplementary bundle containing the SI PDF. The download was too slow to complete, so SI content was not inspected.",
      "license": "CC BY-NC-ND 4.0 (assumed)"
    },
    {
      "url": "https://doi.org/10.1021/acscentsci.1c00303",
      "what": "ACS landing page and SI (not fetched; ACS blocks automated access).",
      "license": "CC BY-NC-ND 4.0"
    }
  ],
  "notes": "Open-access article (PMC8323116, CC BY-NC-ND 4.0 article licence) with one SI PDF. HTE results are shown mainly as bubble plots. Numeric tables appear later in the SI and should be the main source; values read off bubble plots are approximate and should be flagged. The work covers four metallaphotoredox transformations: decarboxylative C(sp3)-C(sp2) arylation (N-Boc-proline + 4-bromobenzotrifluoride), decarboxylative C-N coupling, silane-mediated cross-electrophile coupling (4-bromotetrahydropyran + methyl 4-bromobenzoate), and Ni/photoredox C-O coupling of a protected pyranose with 4-bromoacetophenone. Each has wavelength selection, HTE in a 96-well flow-simulation (FLOSIM) plate, and validation in continuous flow. Plan one dataset per transformation. Report flow validation runs with flow-reactor details: tubing ID, residence time, LED wavelength.",
  "verification_caveats": "Values read from bubble plots are imprecise. The source mixes batch (plate) and continuous-flow reactions. Outcomes may be UPLC area % or assay yields and must be labelled correctly. The work spans several reaction templates and datasets. Photochemical setup details (LED wavelength, intensity, plate geometry) need structured illumination fields."
}