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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>23</sub>H<sub>23</sub>N<sub>3</sub>

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Extracted from

Scheme 9

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₃H₂₃N₃
Molecular Weight	341.45 g/mol
Exact Mass	341.1892 Da
InChI	InChI=1S/C23H23N3/c1-23(2,3)25-22-21(18-12-8-5-9-13-18)24-20-15-14-19(16-26(20)22)17-10-6-4-7-11-17/h4-16,25H,1-3H3
InChIKey	OIUONTFEFIUGRJ-UHFFFAOYSA-N
SMILES	CC(C)(C)NC1=C(C2=CC=CC=C2)N=C3C=CC(=CN31)C4=CC=CC=C4
Number of Atoms	49
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	22
XLogP	5.4

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