Tosylhydrazine-promoted self-conjugate reduction–Michael/aldol reaction of 3-phenacylideneoxindoles towards dispirocyclopentanebisoxindole derivatives

Sayan Pramanik and Chhanda Mukhopadhyay
Beilstein J. Org. Chem. 2022, 18, 469–478. https://doi.org/10.3762/bjoc.18.49

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C36H32N2O4
Molecular Weight 556.65 g/mol
Exact Mass 556.2362 Da
InChI
InChI=1S/C36H32N2O4/c1-3-37-28-21-13-11-19-26(28)34(32(37)40)23-35(42,25-17-9-6-10-18-25)36(31(34)30(39)24-15-7-5-8-16-24)27-20-12-14-22-29(27)38(4-2)33(36)41/h5-22,31,42H,3-4,23H2,1-2H3/t31-,34-,35+,36+/m0/s1
InChIKey
JFEKBUMESGXAQJ-QTHRWXHQSA-N
SMILES
CCN1C2=C(C=CC=C2)[C@]3(C[C@@](C4=CC=CC=C4)([C@]5(C6=C(C=CC=C6)N(CC)C5=O)[C@H]3C(=O)C7=CC=CC=C7)O)C1=O
Number of Atoms 74
Number of H-Bond Acceptors 6
Number of H-Bond Donors 1
Atoms in the Largest π-System 9
XLogP 2.3
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