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/c1-3-20-40-29-11-7-5-9-27(29)36(33(40)43)31(30(41)22-12-16-24(37)17-13-22)34(21-35(36,44)23-14-18-25(38)19-15-23)26-8-4-6-10-28(26)39(2)32(34)42/h4-19,31,44H,3,20-21H2,1-2H3/t31-,34-,35+,36+/m0/s1
|
| InChIKey |
DOTNWXWRMJBIKA-QTHRWXHQSA-N
|
| SMILES |
CCCN1C2=C(C=CC=C2)[C@@]3([C@@H](C(=O)C4=CC=C(C=C4)Cl)[C@]5(C[C@]3(C6=CC=C(C=C6)Cl)O)C7=C(C=CC=C7)N(C)C5=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 | 2.1 |
