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.
Angew. Chem. Int. Ed. 2019, 58, 7987-7991 (DOI 10.1002/anie.201900536). Introduces ChemBeads: glass beads coated with solid reagents (catalysts, bases, ligands) that deliver nanomole amounts of solids for high-throughput reaction screening, validated with 'preferred screening sets' of conditions. The article is closed access. The location and format of the screening results (figures, heatmaps or SI tables) have not been confirmed. Check the Wiley SI first. Pitfalls: reagents are delivered as coated beads at a nominal loading (wt %), so the amounts dispensed must be recorded carefully, and screening outcomes are probably LC/MS-based conversions or product ratios rather than isolated yields.
Known locations:
Reagent amounts are nominal (bead mass times coating wt %), so ORD amounts must say how they were derived. Outcomes are probably semi-quantitative LC/MS area ratios or conversions. The paper may contain several unrelated demonstration screens (different reaction classes). Heatmap-only results would give approximate or binned values.
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.