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 850 reactions; HTE photo): 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: ACS Sustainable Chem. Eng. 2025, DOI 10.1021/acssuschemeng.5c00522 (preprint on ChemRxiv, DOI 10.26434/chemrxiv-2025-t6pdx). The data is in the SI PDF as a series of plate maps, which need to be transcribed into per-well tables. SMILES for ligands, catalysts, reactants and other components must be derived from names or structure drawings. The paper covers parallel (plate) and flow photoredox experiments in temperature-controlled photoreactors. Record the illumination (wavelength, power) and temperature control in ORD's dedicated fields. The article is CC BY-NC-ND: cite the DOI and do not redistribute the SI.
Known locations:
Transcribing plate maps from the PDF is error-prone, so reviewers need to spot-check wells against the PDF. Component SMILES come from drawings or names, so identity errors are possible. Flow runs are continuous or transient and need ORD flow fields, separate from plate reactions. Photochemical conditions (light source, irradiance, temperature) must be captured. It is unverified whether the plate maps are vector text or raster images.
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.