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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>18</sub>H<sub>14</sub>N<sub>4</sub>

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Figure 2

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₄N₄
Molecular Weight	286.33 g/mol
Exact Mass	286.1219 Da
InChI	InChI=1S/C18H14N4/c19-12-13-6-8-14(9-7-13)18-17(15-4-1-2-10-20-15)21-16-5-3-11-22(16)18/h1-2,4,6-10H,3,5,11H2
InChIKey	NBRQCXZMVVOHSA-UHFFFAOYSA-N
SMILES	C1=CC(=NC=C1)C2=C(C3=CC=C(C=C3)C#N)N4CCCC4=N2
Number of Atoms	36
Number of H-Bond Acceptors	4
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	0.9

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