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 | C40H38Br2N2O4 |
| Molecular Weight | 770.55 g/mol |
| Exact Mass | 768.1198 Da |
| InChI |
InChI=1S/C40H38Br2N2O4/c1-5-19-43-32-17-15-28(41)21-30(32)38(36(43)46)23-39(48,27-13-9-25(4)10-14-27)40(35(38)34(45)26-11-7-24(3)8-12-26)31-22-29(42)16-18-33(31)44(20-6-2)37(40)47/h7-18,21-22,35,48H,5-6,19-20,23H2,1-4H3/t35-,38-,39+,40+/m0/s1
|
| InChIKey |
OWIVKVHSSRXXLX-PAHOERINSA-N
|
| SMILES |
CCCN1C2=CC=C(C=C2[C@]3(C[C@@](C4=CC=C(C)C=C4)([C@]5(C6=CC(=CC=C6N(CCC)C5=O)Br)[C@H]3C(=O)C7=CC=C(C)C=C7)O)C1=O)Br
|
| Number of Atoms | 86 |
| Number of H-Bond Acceptors | 6 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 9 |
| XLogP | 4.9 |
