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The Groebke–Blackburn–Bienaymé reaction in its maturity: innovation and improvements since its 21st birthday (2019–2023)

Cristina Martini, Muhammad Idham Darussalam Mardjan and Andrea Basso

Beilstein J. Org. Chem. 2024, 20, 1839–1879. https://doi.org/10.3762/bjoc.20.162

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Chemical structure C<sub>14</sub>H<sub>20</sub>N<sub>2</sub>O<sub>3</sub>

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Extracted from

Figure 9

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₄H₂₀N₂O₃
Molecular Weight	264.32 g/mol
Exact Mass	264.1474 Da
InChI	InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
InChIKey	WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES	C(CCCC(=O)NO)CCC(=O)NC1=CC=CC=C1
Number of Atoms	39
Number of H-Bond Acceptors	3
Number of H-Bond Donors	3
Atoms in the Largest π-System	9
XLogP	1.2

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