Build an Open Reaction Database (ORD) dataset of the reactions reported in:
The reference input card holds these facts, the source-data locations and the notes below in machine-readable form.
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.
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:
Photochemistry metadata required. Outcome type (assay yield, LCMS area %, conversion) unconfirmed. Whether the tables are text or images is unknown.
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.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.