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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>19</sub>H<sub>14</sub>N<sub>4</sub>O<sub>2</sub>

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Extracted from

Figure 8

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₉H₁₄N₄O₂
Molecular Weight	330.34 g/mol
Exact Mass	330.1117 Da
InChI	InChI=1S/C19H14N4O2/c24-19(25)14-6-8-15(9-7-14)21-18-17(13-4-2-1-3-5-13)22-16-12-20-10-11-23(16)18/h1-12,21H,(H,24,25)
InChIKey	YLBJWVAGVSLAMC-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=C(NC3=CC=C(C=C3)C(=O)O)N4C=CN=CC4=N2
Number of Atoms	39
Number of H-Bond Acceptors	6
Number of H-Bond Donors	2
Atoms in the Largest π-System	25
XLogP	1.8

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