# Curate this paper into an ORD dataset

Build an Open Reaction Database (ORD) dataset of the reactions reported in:

- **Paper:** High-Throughput Exploration of a Thioxanthone-catalyzed Photoredox C-O Coupling
- **Authors:** Imogen Andrews, Lee J. Edwards, Blandine S. J. McKay et al.
- **Published:** ChemPhotoChem, 2024-02-09
- **DOI:** [10.1002/cptc.202300272](https://doi.org/10.1002/cptc.202300272)
- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570012)

The reference input `card` holds these facts, the source-data locations and the notes below in machine-readable form.

## Scope

Every reaction the paper reports with its data (the wishlist estimates about 96 reactions; HTE photochem): inputs with amounts and roles, conditions, workups, outcomes and provenance, following the `ord-curation` Skill. Submit one ORD Dataset for the paper; if its data come from several screens or methods, keep them together and say so in the dataset description.

## Source data

High-throughput exploration of a thioxanthone-catalyzed photoredox C-O coupling (GSK; ChemPhotoChem 2024). About 96 reactions. The reaction data tables are embedded in the SI PDF rather than supplied as a spreadsheet, so they need table extraction and templating before import. Capture photochemical conditions (light source, wavelength, plate/vessel, irradiation time) from the SI experimental section. The article is not open access; Wiley SI is typically downloadable from the article page, but this was not verified. Cite DOI 10.1002/cptc.202300272.

Known locations:

- [https://doi.org/10.1002/cptc.202300272](https://doi.org/10.1002/cptc.202300272): Article (ChemPhotoChem 2024) with SI PDF containing reaction data tables (license: Closed article; Crossref lists Wiley terms and conditions (VOR); SI license unknown)

## Pitfalls

Photochemistry metadata required. Outcome type (assay yield, LCMS area %, conversion) unconfirmed. Whether the tables are text or images is unknown.

## Deliver

- `dataset`: the ORD Dataset, compressed (`.binpb.gz`, `.pb.gz`, `.txtpb.gz`, `.pbtxt.gz` or `.parquet`), citing the DOI above in every reaction's provenance, with no dataset or reaction IDs.
- `sources`: a `.zip` with a `README.md` (which tables or files each part came from, how structures were checked), the template and spreadsheet or the script or notebook that rebuild the dataset, and `validation.txt`, the output of ORD's validator (ord-schema 0.8.3) on the `dataset` file.

## Before you start

Open the wishlist card. If it is no longer Available, someone has reserved or started it: coordinate with them or choose another paper. Get the source data only through legitimate channels (the publisher's Supporting Information, the repositories above, or the authors). Submitting the finished dataset to ORD, and ORD's separate Dataset Rewards program, follow ORD's own rules.