HRID888455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)C(c1ccc(Nc2nc(-c3cccc(NC(=O)c4cc5c(s4)CCCCC5)c3C)cn(C)c2=O)cc1)N1CCN(CC)CC1

HCID57625121

未命名化合物

结构：Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(C(=O)O)N(C)C(C)C)cc2)n1

HCID57625150

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(C(C(=O)O)c2ccc(Nc3nc(-c4cccc(NC(=O)c5cc6c(s5)CCCCC6)c4C)cn(C)c3=O)cc2)CC1

HCID57625144

未命名化合物

收率 97%

PROCEDURE

实验过程

Using the same procedure as described for the preparation of 29, saponification of 45 (1.29 g) gave a 97% yield (1.20 g) of 46 as an off-white solid: mp 168-170° C.; 1H NMR (300 MHz, DMSO-d6) δ 9.79 (s, 1H), 9.25 (s, 1H), 7.96 (d, 2H, J=7.5 Hz), 7.70 (s, 1H), 7.29 (m, 6H), 3.86 (m, 1H), 3.71 (s, 3H), 3.37 (q, 2H, J=7.2 Hz), 2.81 (m, 2H), 2.69 (m, 2H), 2.42 s, 8H), 2.19 (s, 3H), 1.83 (br s, 2H), 1.61 (br s, 4H), 0.95 (t, 3H, J=7.2 Hz); MS (ESI+), m/z 655 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8c01fa23680466896afde5abb5425fc
来源数据集: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08247550B2
来源说明: uspto-grants-2012_08

反应 SMILES

C(C1C=CC(C(NC2C(C)=C(C3N=C(NC4C=CC(C(N(C(C)C)C)C(O)=O)=CC=4)C(=O)N(C)C=3)C=CC=2)=O)=CC=1)(C)(C)C.[CH2:45]([N:47]1[CH2:52][CH2:51][N:50]([CH:53]([C:59]2[CH:64]=[CH:63][C:62]([NH:65][C:66]3[C:71](=[O:72])[N:70]([CH3:73])[CH:69]=[C:68]([C:74]4[CH:79]=[CH:78][CH:77]=[C:76]([NH:80][C:81]([C:83]5[S:87][C:86]6[CH2:88][CH2:89][CH2:90][CH2:91][CH2:92][C:85]=6[CH:84]=5)=[O:82])[C:75]=4[CH3:93])[N:67]=3)=[CH:61][CH:60]=2)[C:54]([O:56]CC)=[O:55])[CH2:49][CH2:48]1)[CH3:46]>>[CH2:45]([N:47]1[CH2:52][CH2:51][N:50]([CH:53]([C:59]2[CH:60]=[CH:61][C:62]([NH:65][C:66]3[C:71](=[O:72])[N:70]([CH3:73])[CH:69]=[C:68]([C:74]4[CH:79]=[CH:78][CH:77]=[C:76]([NH:80][C:81]([C:83]5[S:87][C:86]6[CH2:88][CH2:89][CH2:90][CH2:91][CH2:92][C:85]=6[CH:84]=5)=[O:82])[C:75]=4[CH3:93])[N:67]=3)=[CH:63][CH:64]=2)[C:54]([OH:56])=[O:55])[CH2:49][CH2:48]1)[CH3:46]