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 C38H32N2O4
Molecular Weight 580.67 g/mol
Exact Mass 580.2362 Da
InChI
InChI=1S/C38H32N2O4/c1-3-23-39-30-21-13-11-19-28(30)36(34(39)42)25-37(44,27-17-9-6-10-18-27)38(33(36)32(41)26-15-7-5-8-16-26)29-20-12-14-22-31(29)40(24-4-2)35(38)43/h3-22,33,44H,1-2,23-25H2/t33-,36-,37+,38+/m0/s1
InChIKey
SWJMILUADIERPM-ZXSZDXTFSA-N
SMILES
C=CCN1C2=C(C=CC=C2)[C@]3(C[C@@](C4=CC=CC=C4)([C@]5(C6=C(C=CC=C6)N(CC=C)C5=O)[C@H]3C(=O)C7=CC=CC=C7)O)C1=O
Number of Atoms 76
Number of H-Bond Acceptors 6
Number of H-Bond Donors 1
Atoms in the Largest π-System 9
XLogP 2.7
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