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 | C36H30Cl2N2O4 |
| Molecular Weight | 625.54 g/mol |
| Exact Mass | 624.1583 Da |
| InChI |
InChI=1S/C36H30Cl2N2O4/c1-3-39-28-11-7-5-9-26(28)34(32(39)42)21-35(44,23-15-19-25(38)20-16-23)36(31(34)30(41)22-13-17-24(37)18-14-22)27-10-6-8-12-29(27)40(4-2)33(36)43/h5-20,31,44H,3-4,21H2,1-2H3/t31-,34-,35+,36+/m0/s1
|
| InChIKey |
NZNPMNRZXCXUQN-QTHRWXHQSA-N
|
| SMILES |
CCN1C2=C(C=CC=C2)[C@]3(C[C@@](C4=CC=C(C=C4)Cl)([C@]5(C6=C(C=CC=C6)N(CC)C5=O)[C@H]3C(=O)C7=CC=C(C=C7)Cl)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 | 2.2 |
