HCID 69675210, compound → HCID 178502504, compound

HRID 1751561Notes

Reaction equation

COC(=O)N[C@@H](C(C)C)C(N1[C@H](C2NC(C3C=CC(C4C=CC5C(=CC=C(C6NC([C@@H]7CCCN7[C:48](=[O:61])[C@H:49]([NH:56][C:57]([O:59][CH3:60])=[O:58])[C:50]7[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=7)=NC=6)C=5)C=4)=CC=3)=CN=2)CC2(OCCO2)C1)=O.Cl.Cl.Cl.[F:69][C:70]1([F:118])[C:82]2[CH:81]=[C:80]([C:83]3[N:84]=[C:85]([C@@H:88]([NH:92][C:93](=[O:103])[C@@H:94]([NH:98][C:99](=[O:102])[O:100][CH3:101])[CH:95]([CH3:97])[CH3:96])[CH:89]([CH3:91])[CH3:90])[NH:86][CH:87]=3)[CH:79]=[CH:78][C:77]=2[C:76]2[C:71]1=[CH:72][C:73]([C:104]1[CH:105]=[CH:106][C:107]3[N:111]=[C:110]([C@@H:112]4[CH2:116][CH2:115][CH2:114][NH:113]4)[NH:109][C:108]=3[CH:117]=1)=[CH:74][CH:75]=2>>[CH3:60][O:59][C:57](=[O:58])[NH:56][C@H:49]([C:50]1[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=1)[C:48]([N:113]1[CH2:114][CH2:115][CH2:116][C@H:112]1[C:110]1[NH:109][C:108]2[CH:117]=[C:104]([C:73]3[CH:74]=[CH:75][C:76]4[C:77]5[C:82](=[CH:81][C:80]([C:83]6[N:84]=[C:85]([C@@H:88]([NH:92][C:93](=[O:103])[C@@H:94]([NH:98][C:99]([O:100][CH3:101])=[O:102])[CH:95]([CH3:97])[CH3:96])[CH:89]([CH3:90])[CH3:91])[NH:86][CH:87]=6)=[CH:79][CH:78]=5)[C:70]([F:69])([F:118])[C:71]=4[CH:72]=3)[CH:105]=[CH:106][C:107]=2[N:111]=1)=[O:61]

Participants

Reactant 2

HCID 69675210HCID 69675210, compound

HCID 178502506HCID 178502506, compound

Product 1

HCID 178502504HCID 178502504, compound

Procedure

The title compound was prepared according to the method employed to prepare (S)-1-((S)-8-(5-(4-(6-(2-((S)-1-((R)-2-(methoxycarbonylamino)-2-phenylacetyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)naphthalen-2-yl)phenyl)-1H-imidazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methyl-1-oxobutan-2-ylcarbamic acid methyl ester, except that methyl (S)-1-((S)-1-(4-(9,9-difluoro-7-(2-((S)-pyrrolidin-2-yl)-1H-benzo[d]imidazol-6-yl)-9H-fluoren-2-yl)-1H-imidazol-2-yl)-2-methylpropylamino)-3-methyl-1-oxobutan-2-ylcarbamate 3HCl salt was used instead of methyl (S)-3-methyl-1-oxo-1-((S)-8-(5-(4-(6-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)naphthalen-2-yl)phenyl)-1H-imidazol-2-yl)-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)butan-2-ylcarbamate 3HCl salt. MS (ESI) m/z 873.92 [M+H]+. (62 mg, 37%).

Sources & evidence

ORD record: ord-0237920f7af34d2a878be58dccf8874a
Source dataset: uspto-grants-2015_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09156823B2

Reaction notes

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