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Data availability
Raw NMR data files for compounds 2a and 2b have been deposited with figshare (https://doi.org/10.6084/m9.figshare.7639703.v1).
References
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Contributions
J.K.S. analysed the original spectral data and suggested the structure 2 instead of 1, then carried out all experimental work and constructed the Supplementary Information. J.E.W. did the calculations and prepared the manuscript with advice from J.K.S.
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Extended data figures and tables
Extended Data Fig. 1 Minimum energy diastereomer of compound 1, two diastereomers of an alternative product, and comparison with a known vinyl acetate.
Compound numbering is indicated in red. Chemical shift values (in p.p.m.) are shown in blue.
Extended Data Fig. 2
Proposed mechanism leading to the observed product 2.
Extended Data Fig. 3
Isolation of vinyl esters 2a and 2b, and further evidence for their assignment from hydrolysis.
Supplementary information
Supplementary Information
This file contains Supplementary Text and Data, Supplementary Figures 1-41 and Supplementary Tables 1-3.
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Sader, J.K., Wulff, J.E. Reinvestigation of a robotically revealed reaction. Nature 570, E54–E59 (2019). https://doi.org/10.1038/s41586-019-1176-5
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DOI: https://doi.org/10.1038/s41586-019-1176-5
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