HCID 69675210, compound → HCID 178502503, compound

HRID 1751562Notes

Reaction equation

COC(=O)N[C@@H](C(C)C)C(N1[C@H](C2NC(C3C=CC(C4C=CC5C(=CC=[C:33]([C:38]6[NH:42][C:41]([C@@H:43]7[CH2:47][CH2:46][CH2:45][N:44]7[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)=[N:40][CH:39]=6)C=5)C=4)=CC=3)=CN=2)CC2(OCCO2)C1)=O.Cl.Cl.Cl.[F:69][C:70]1([F:121])[C:82]2[CH:81]=[C:80]([C:83]3[N:84]=[C:85]([C@@H:88]([NH:92][C:93](=[O:106])[C@@H:94]([NH:101][C:102](=[O:105])[O:103][CH3:104])[CH:95]4[CH2:100][CH2:99][O:98][CH2:97][CH2:96]4)[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:107]1C=CC3N=C([C@@H]4CCCN4)N[C:111]=3[CH:120]=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:44]1[CH2:45][CH2:46][CH2:47][C@H:43]1[C:41]1[NH:42][C:38]2[CH:33]=[C:107]([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:106])[C@@H:94]([NH:101][C:102]([O:103][CH3:104])=[O:105])[CH:95]7[CH2:100][CH2:99][O:98][CH2:97][CH2:96]7)[CH:89]([CH3:91])[CH3:90])[NH:86][CH:87]=6)=[CH:79][CH:78]=5)[C:70]([F:121])([F:69])[C:71]=4[CH:72]=3)[CH:120]=[CH:111][C:39]=2[N:40]=1)=[O:61]

Participants

Reactant 2

HCID 69675210HCID 69675210, compound

HCID 178502505HCID 178502505, compound

Product 1

HCID 178502503HCID 178502503, 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)-2-((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)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethylcarbamate 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 915.94 [M+H]+. (52 mg, 32%).

Sources & evidence

ORD record: ord-6c7a0b4526f14226a0e61e953dee6a3e
Source dataset: uspto-grants-2015_10
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US09156823B2

Reaction notes

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