HCID 135885194, compound → HCID 136383514, compound

HRID 2110612Notes

Reaction equation

C(OC1C=CC(CNC2(CCC(C)(C)C)C3C(=CC=CC=3)C(O)=C(C3NC4C=CC(NS(C)(=O)=O)=CC=4S(=O)(=O)N=3)C2=O)=CC=1)C1C=CC=CC=1.C([O:59][C:60]1[CH:102]=[CH:101][CH:100]=[CH:99][C:61]=1[CH2:62][NH:63][C:64]1([CH2:93][CH2:94][C:95]([CH3:98])([CH3:97])[CH3:96])[C:73]2[C:68](=[CH:69][CH:70]=[CH:71][CH:72]=2)[C:67]([OH:74])=[C:66]([C:75]2[NH:80][C:79]3[CH:81]=[CH:82][C:83]([NH:85][S:86]([CH3:89])(=[O:88])=[O:87])=[CH:84][C:78]=3[S:77](=[O:91])(=[O:90])[N:76]=2)[C:65]1=[O:92])C1C=CC=CC=1>>[CH3:96][C:95]([CH3:98])([CH3:97])[CH2:94][CH2:93][C:64]1([NH:63][CH2:62][C:61]2[CH:99]=[CH:100][CH:101]=[CH:102][C:60]=2[OH:59])[C:73]2[C:68](=[CH:69][CH:70]=[CH:71][CH:72]=2)[C:67]([OH:74])=[C:66]([C:75]2[NH:80][C:79]3[CH:81]=[CH:82][C:83]([NH:85][S:86]([CH3:89])(=[O:88])=[O:87])=[CH:84][C:78]=3[S:77](=[O:91])(=[O:90])[N:76]=2)[C:65]1=[O:92]

Participants

Reactant 2

HCID 135885194HCID 135885194, compound

HCID 136383515HCID 136383515, compound

Product 1

HCID 136383514HCID 136383514, compound

Procedure

The procedure of Example 91 was followed, except substituting the product from Example 81 with the product from Example 88. The title compound was prepared as a light yellow solid (8 mg, 57%). 1H NMR (300 MHz, DMSO-d6) δ ppm 0.41-0.59 (m, 1H), 0.66 (s, 9H), 0.91-1.08 (m, 1H), 1.74-2.26 (m, 2H), 3.01 (s, 3H), 6.75 (d, J=5.15 Hz, 2H), 7.13 (d, J=5.88 Hz, 2H), 7.32-7.39 (m, 1H), 7.40-7.55 (m, 3H), 7.55-7.68 (m, 1H), 7.75-7.90 (m, 1H), 8.14 (d, J=6.99 Hz, 1H), 9.94 (s, 1H); MS m/z 639.3 (M+H)+.

Sources & evidence

ORD record: ord-a4634dc9ba6647258bec378c979a7bf0
Source dataset: uspto-grants-2009_04
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07517876B2

Reaction notes

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