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 144 reactions; HTE): 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: Rice et al., Beilstein J. Org. Chem. 2025, 21, doi:10.3762/bjoc.21.150 (diamond OA, CC-BY 4.0). A Rh-catalysed HTE (about 144 reactions) of alpha-diazoamide substrates D1-D5 bearing S(VI) warheads with co-substrates C1-C18 and dirhodium catalysts. The setup was a 96-well glass-vial block in CH2Cl2 with solvent evaporation between additions, and a 48 h reaction. Estimated yields (UPLC-MS with ELSD) are shown in Figure 2 panel B; a dash means below 2%. Table 2 gives isolated yields after mass-directed purification of selected combinations. Structures are shown only as drawings (Scheme 1/Table 1, Figure 2A, Figure 3), so SMILES must be assigned. The experimental details are in SI File 1. The reporting is non-trivial: some wells give multiple products (a/b), and only selected wells were purified.
Known locations:
The HTE outcomes are semi-quantitative ELSD estimates, and values below 2% are censored (shown as a dash). Wells can give several intermolecular products, and the reaction modes vary (O-H/N-H insertion, formal C-H insertion, cyclopropanation), so templates vary by well. Products from unpurified wells are not structurally characterised. A second round with D4, D5 and C17/C18 extends the grid. The dispensing/evaporation sequence needs careful input modelling.
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.