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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>14</sub>H<sub>17</sub>N<sub>3</sub>O<sub>2</sub>S

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Extracted from

Scheme 10

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₄H₁₇N₃O₂S
Molecular Weight	291.37 g/mol
Exact Mass	291.1042 Da
InChI	InChI=1S/C14H17N3O2S/c1-14(2,3)16-12-11(10-5-4-9(8-18)19-10)15-13-17(12)6-7-20-13/h4-7,16,18H,8H2,1-3H3
InChIKey	UTYJZIBOPLLWOQ-UHFFFAOYSA-N
SMILES	CC(C)(C)NC1=C(C2=CC=C(CO)O2)N=C3N1C=CS3
Number of Atoms	37
Number of H-Bond Acceptors	5
Number of H-Bond Donors	2
Atoms in the Largest π-System	13
XLogP	2.6

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