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.
Industrial (Pfizer) paper describing the ReactALL parallel reactor platform, with experimental data and case studies. The article is closed access. The ORD curator found no reaction data in the SI and considered it unlikely that the article itself contains tabulated reaction data. Experiment type and dataset size are not recorded on the wishlist card. Curation depends on the authors providing the underlying data. Cite DOI 10.1021/acs.oprd.4c00210.
Known locations:
Unknown data scope. Case studies may be kinetic/time-course profiles, which ORD represents per-timepoint and which are harder to validate. The data may be proprietary.
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.