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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>19</sub>H<sub>15</sub>N<sub>3</sub>S

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Figure 2

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₉H₁₅N₃S
Molecular Weight	317.41 g/mol
Exact Mass	317.0987 Da
InChI	InChI=1S/C19H15N3S/c1-2-9-20-15(4-1)18-19(22-10-3-5-17(22)21-18)14-6-7-16-13(12-14)8-11-23-16/h1-2,4,6-9,11-12H,3,5,10H2
InChIKey	UDYKJNMYXUDMFD-UHFFFAOYSA-N
SMILES	C1=CC(=NC=C1)C2=C(C3=CC=C4C(=C3)C=CS4)N5CCCC5=N2
Number of Atoms	38
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	1.9

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