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 | C38H32Br2Cl2N2O4 |
| Molecular Weight | 811.39 g/mol |
| Exact Mass | 808.0106 Da |
| InChI |
InChI=1S/C38H32Br2Cl2N2O4/c1-3-17-43-30-15-9-24(39)19-28(30)36(34(43)46)21-37(48,23-7-13-27(42)14-8-23)38(33(36)32(45)22-5-11-26(41)12-6-22)29-20-25(40)10-16-31(29)44(18-4-2)35(38)47/h5-16,19-20,33,48H,3-4,17-18,21H2,1-2H3/t33-,36-,37+,38+/m0/s1
|
| InChIKey |
XYDUJTIULJYGMO-ZXSZDXTFSA-N
|
| SMILES |
CCCN1C2=CC=C(C=C2[C@]3(C[C@@](C4=CC=C(C=C4)Cl)([C@]5(C6=CC(=CC=C6N(CCC)C5=O)Br)[C@H]3C(=O)C7=CC=C(C=C7)Cl)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 | 4.0 |
