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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>27</sub>H<sub>15</sub>N<sub>3</sub>

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Extracted from

Scheme 31

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₇H₁₅N₃
Molecular Weight	381.43 g/mol
Exact Mass	381.1266 Da
InChI	InChI=1S/C27H15N3/c1-28-25-10-4-19(5-11-25)22-16-23(20-6-12-26(29-2)13-7-20)18-24(17-22)21-8-14-27(30-3)15-9-21/h4-18H
InChIKey	UCTXSKOKHNXUIS-UHFFFAOYSA-N
SMILES	[C-]#[N+]C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)[N+]#[C-])C4=CC=C(C=C4)[N+]#[C-]
Number of Atoms	45
Number of H-Bond Acceptors	0
Number of H-Bond Donors	0
Atoms in the Largest π-System	30
XLogP	3.9

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