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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>21</sub>H<sub>16</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	C₂₁H₁₆N₄
Molecular Weight	324.38 g/mol
Exact Mass	324.1375 Da
InChI	InChI=1S/C21H16N4/c22-20-17-11-5-4-10-16(17)19-21(24-13-7-6-12-18(24)23-19)25(20)14-15-8-2-1-3-9-15/h1-13,22H,14H2
InChIKey	GZXJHISYHZWQQH-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CN2C(=N)C3=C(C=CC=C3)C4=C2N5C=CC=CC5=N4
Number of Atoms	41
Number of H-Bond Acceptors	4
Number of H-Bond Donors	1
Atoms in the Largest π-System	18
XLogP	3.9

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