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: 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.
This Synlett 2018 account covers high-throughput discovery of a carbonyl-Heck reaction: intermolecular coupling of organotriflates with aldehydes to give ketones. The article is paywalled (Thieme). An earlier ORD curation attempt could not obtain the underlying screening data, and the SI could not be inspected. The data will probably need to come from the authors. Pitfalls: an account/review-style article may summarise screens reported in more detail in primary papers, and the HTE results may be shown only as figures or heatmaps.
Known locations:
Data availability and format are unknown. HTE screens may be shown only as plate heatmaps. The account may overlap with primary publications from the same group, which risks duplicate reactions in ORD.
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.