HCID 58975531, compound → HCID 11751853, compound

HRID 1178787Notes

Reaction equation

C(OC(=O)[NH:7][CH:8]1[CH2:17][C:16]2[C:11](=[CH:12][CH:13]=[C:14]([C:18]3[CH:22]=[CH:21][S:20][CH:19]=3)[CH:15]=2)[N:10]([CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[C:9]1=[O:30])(C)(C)C.C(N1C2C(=CC(Br)=CC=2)CC(N[S:51]([C:54]2[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=2)(=[O:53])=[O:52])C1=O)C1C=CC=CC=1>>[CH2:23]([N:10]1[C:11]2[C:16](=[CH:15][C:14]([C:18]3[CH:22]=[CH:21][S:20][CH:19]=3)=[CH:13][CH:12]=2)[CH2:17][CH:8]([NH:7][S:51]([C:54]2[CH:59]=[CH:58][CH:57]=[CH:56][CH:55]=2)(=[O:53])=[O:52])[C:9]1=[O:30])[C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1

Participants

Reactant 2

HCID 58975531HCID 58975531, compound

HCID 58975533HCID 58975533, compound

Product 1

HCID 11751853HCID 11751853, compound

Procedure

The title compound (6 mg) was prepared from 12A (14.5 mg, somewhat impure) according to the procedures described in 3D and 3E. HPLC/MS retention time=3.9 min (Phenomenex Luna 5 micron C18 4.6 mm×50 mm column eluted with a 0% to 100% B solvent gradient over 4 min; solvent A=90% H2O, 10% MeOH, 10 mM NH4OAc and solvent B=10% H2O, 90% MeOH, 10 mM NH4OAc; flow rate=4.0 mL/min; UV detection at 220 nm); m/z=475 [M+H]+.

Workup

washHPLC/MS retention time=3.9 min (Phenomenex Luna 5 micron C18 4.6 mm×50 mm column eluted with a 0% to 100% B solvent gradient over 4 min

Sources & evidence

ORD record: ord-44b4117d581645ac9cddcd299edce82c
Source dataset: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07276608B2

Reaction notes

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