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Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach

Dileep Kumar Singh and Rajesh Kumar

Beilstein J. Org. Chem. 2023, 19, 928–955. https://doi.org/10.3762/bjoc.19.71

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Chemical structure C<sub>20</sub>H<sub>20</sub>Cl<sub>2</sub>N<sub>2</sub>OS

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Figure 1

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₀H₂₀Cl₂N₂OS
Molecular Weight	407.36 g/mol
Exact Mass	406.0674 Da
InChI	InChI=1S/C20H20Cl2N2OS/c1-13(2)19-15(12-25)11-24(10-14-3-5-23-6-4-14)20(19)26-18-8-16(21)7-17(22)9-18/h3-9,11,13,25H,10,12H2,1-2H3
InChIKey	IQXFKQNAMUFNKC-UHFFFAOYSA-N
SMILES	CC(C)C1=C(N(CC2=CC=NC=C2)C=C1CO)SC3=CC(=CC(=C3)Cl)Cl
Number of Atoms	46
Number of H-Bond Acceptors	3
Number of H-Bond Donors	1
Atoms in the Largest π-System	6
XLogP	3.1

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