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/c1-5-41-30-17-15-26(39)19-28(30)36(34(41)44)21-37(46,25-13-9-23(4)10-14-25)38(33(36)32(43)24-11-7-22(3)8-12-24)29-20-27(40)16-18-31(29)42(6-2)35(38)45/h7-20,33,46H,5-6,21H2,1-4H3/t33-,36-,37+,38+/m0/s1
|
| InChIKey |
QABCJSZFIKUNFQ-ZXSZDXTFSA-N
|
| SMILES |
CCN1C2=CC=C(C=C2[C@]3(C[C@@](C4=CC=C(C)C=C4)([C@]5(C6=CC(=CC=C6N(CC)C5=O)Br)[C@H]3C(=O)C7=CC=C(C)C=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 |
