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 | C38H34Br2N2O4 |
| Molecular Weight | 742.50 g/mol |
| Exact Mass | 740.0886 Da |
| InChI |
InChI=1S/C38H34Br2N2O4/c1-3-19-41-30-17-15-26(39)21-28(30)36(34(41)44)23-37(46,25-13-9-6-10-14-25)38(33(36)32(43)24-11-7-5-8-12-24)29-22-27(40)16-18-31(29)42(20-4-2)35(38)45/h5-18,21-22,33,46H,3-4,19-20,23H2,1-2H3/t33-,36-,37+,38+/m0/s1
|
| InChIKey |
PQJNOKKCNWYOAK-ZXSZDXTFSA-N
|
| SMILES |
CCCN1C2=CC=C(C=C2[C@]3(C[C@@](C4=CC=CC=C4)([C@]5(C6=CC(=CC=C6N(CCC)C5=O)Br)[C@H]3C(=O)C7=CC=CC=C7)O)C1=O)Br
|
| Number of Atoms | 80 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 9 |
| XLogP | 4.1 |
