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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>15</sub>H<sub>13</sub>FN<sub>4</sub>O<sub>2</sub>

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Extracted from

Figure 10

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₃FN₄O₂
Molecular Weight	300.29 g/mol
Exact Mass	300.1023 Da
InChI	InChI=1S/C15H13FN4O2/c1-9-14(20-7-3-2-4-13(20)17-9)18-12-6-5-10(8-11(12)16)15(21)19-22/h2-8,18,22H,1H3,(H,19,21)
InChIKey	GFZAQFZABQWDHP-UHFFFAOYSA-N
SMILES	CC1=C(NC2=CC=C(C=C2F)C(=O)NO)N3C=CC=CC3=N1
Number of Atoms	35
Number of H-Bond Acceptors	4
Number of H-Bond Donors	3
Atoms in the Largest π-System	20
XLogP	1.1

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