HCID 58975518, compound → HCID 58975513, compound

HRID 1178781Notes

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:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[CH:15]=2)[N:10]([CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C:9]1=[O:31])(C)(C)C.C(N1C2C(=CC(Br)=CC=2)CC(N[S:52]([C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)(=[O:54])=[O:53])C1=O)C1C=CC=CC=1>>[CH2:24]([N:10]1[C:11]2[C:16](=[CH:15][C:14]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[CH:13][CH:12]=2)[CH2:17][CH:8]([NH:7][S:52]([C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)(=[O:54])=[O:53])[C:9]1=[O:31])[C:25]1[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=1

Participants

Reactant 2

HCID 58975518HCID 58975518, compound

HCID 58975531HCID 58975531, compound

Product 1

HCID 58975513HCID 58975513, compound

Procedure

The title compound (15 mg) was prepared from 4B (22 mg) according to the procedures described in 3D and 3E. HPLC/MS retention time=4.0 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, 0.1% TFA and solvent B=10% H2O, 90% MeOH, 0.1% TFA; flow rate=4.0 mL/min; UV detection at 220 nm); m/z=469 [M+H]+, 491 [M+Na]+.

Workup

washHPLC/MS retention time=4.0 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-9ab96cabaf7b4a399a54a0082bb71a7d
Source dataset: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07276608B2

Reaction notes

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