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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>17</sub>H<sub>19</sub>N<sub>3</sub>O

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Extracted from

Scheme 42

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₉N₃O
Molecular Weight	281.35 g/mol
Exact Mass	281.1528 Da
InChI	InChI=1S/C17H19N3O/c1-17(2,3)19-16-15(12-7-6-8-13(21)11-12)18-14-9-4-5-10-20(14)16/h4-11,19,21H,1-3H3
InChIKey	SMBRAFOTVLPARM-UHFFFAOYSA-N
SMILES	CC(C)(C)NC1=C(C2=CC=CC(=C2)O)N=C3C=CC=CN31
Number of Atoms	40
Number of H-Bond Acceptors	4
Number of H-Bond Donors	2
Atoms in the Largest π-System	17
XLogP	3.0

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