HCID 46836570, compound → HCID 46836718, compound

HRID 1518280Notes

Reaction equation

S1C2C=CC=CC=2N=C1NC(C1C=CC=C2C=1CN(C1SC(CCCOC3C=CC(NC(OC(C)(C)C)=O)=CC=3)=C(C(O)=O)N=1)CC2)=O.[S:49]1[C:53]2[CH:54]=[CH:55][CH:56]=[CH:57][C:52]=2[N:51]=[C:50]1[NH:58][C:59]([C:61]1[CH:62]=[CH:63][CH:64]=[C:65]2[C:70]=1[CH2:69][N:68]([C:71]1[S:72][C:73]([CH2:79][CH2:80][CH2:81][O:82][C:83]3[CH:88]=[CH:87][CH:86]=[C:85]([NH:89]C(OC(C)(C)C)=O)[CH:84]=3)=[C:74]([C:76]([OH:78])=[O:77])[N:75]=1)[CH2:67][CH2:66]2)=[O:60]>>[NH2:89][C:85]1[CH:84]=[C:83]([CH:88]=[CH:87][CH:86]=1)[O:82][CH2:81][CH2:80][CH2:79][C:73]1[S:72][C:71]([N:68]2[CH2:67][CH2:66][C:65]3[C:70](=[C:61]([C:59](=[O:60])[NH:58][C:50]4[S:49][C:53]5[CH:54]=[CH:55][CH:56]=[CH:57][C:52]=5[N:51]=4)[CH:62]=[CH:63][CH:64]=3)[CH2:69]2)=[N:75][C:74]=1[C:76]([OH:78])=[O:77]

Participants

Reactant 2

HCID 46836570HCID 46836570, compound

HCID 59447479HCID 59447479, compound

Product 1

HCID 46836718HCID 46836718, compound

Procedure

The title compound 9 was prepared by following the procedure set forth in Example 6 but substituting compound 4 in Example 6 with compound 5: 1H NMR (300 MHz, DMSO-d6) δ ppm 12.89 (1H, s), 8.03 (1H, m), 7.79 (1H, d), 7.67 (1H, m), 7.42 (4H, m), 7.02 (1H, m), 6.33 (3H, m), 4.83 (2H, s), 3.90 (2H, t), 3.72 (2H, t), 3.16 (2H, m), 3.03 (2H, t), 1.98 (2H, m); MS (ESI(+)): m/z 586 (M+H).

Sources & evidence

ORD record: ord-276f4e61aa244685bc5ace82f0f2dc3f
Source dataset: uspto-grants-2012_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08232273B2

Reaction notes

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