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 | C40H40N2O4 |
| Molecular Weight | 612.76 g/mol |
| Exact Mass | 612.2988 Da |
| InChI |
InChI=1S/C40H40N2O4/c1-5-23-41-32-13-9-7-11-30(32)38(36(41)44)25-39(46,29-21-17-27(4)18-22-29)40(35(38)34(43)28-19-15-26(3)16-20-28)31-12-8-10-14-33(31)42(24-6-2)37(40)45/h7-22,35,46H,5-6,23-25H2,1-4H3/t35-,38-,39+,40+/m0/s1
|
| InChIKey |
ZBHXEDGDEGROQG-PAHOERINSA-N
|
| SMILES |
CCCN1C2=C(C=CC=C2)[C@]3(C[C@@](C4=CC=C(C)C=C4)([C@]5(C6=C(C=CC=C6)N(CCC)C5=O)[C@H]3C(=O)C7=CC=C(C)C=C7)O)C1=O
|
| Number of Atoms | 86 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 9 |
| XLogP | 3.8 |
