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.
Microtiter-plate screening and optimisation of micellar (surfactant-in-water) Suzuki-Miyaura and Buchwald-Hartwig cross-couplings, from Brocklehurst et al., Org. Process Res. Dev. 2018 (doi:10.1021/acs.oprd.8b00200). The screening results are in the Supporting Information but only as 3D bar plots, so numeric yields or conversions cannot be read reliably. Curation needs either the underlying numeric values from the authors or an explicitly documented chart-digitisation approach with stated uncertainty. Surfactant identity and loading (wt% in water), co-solvents and ligands must be encoded as separate inputs. The ORD Dataset must cite the paper DOI.
Known locations:
Values digitised from 3D bar plots are approximate and hard to verify; perspective distortion makes bar heights ambiguous. Surfactant or micellar media need careful ORD encoding. The number of reactions is not recorded on the card.
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.