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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>20</sub>H<sub>14</sub>N<sub>4</sub>

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Figure 6

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₀H₁₄N₄
Molecular Weight	310.35 g/mol
Exact Mass	310.1219 Da
InChI	InChI=1S/C20H14N4/c1-2-8-14(9-3-1)21-19-16-11-5-4-10-15(16)18-20(23-19)24-13-7-6-12-17(24)22-18/h1-13H,(H,21,23)
InChIKey	RGJVTBAGBGULMX-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)NC2=NC3=C(C4=C2C=CC=C4)N=C5C=CC=CN53
Number of Atoms	38
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	24
XLogP	2.4

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