HRID1751523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc3cc(-c4ccc(-c5cnc(C6CCCN6C(=O)C(NC(=O)CC6CCOCC6)c6ccccc6)[nH]5)cc4)ccc3c2)[nH]1)C(C)C

HCID69675095

未命名化合物

结构：COC(=O)NC(C(=O)N1CCCC1c1nc2c([nH]1)-c1ccc(-c3ccc4cc(-c5cnc(C6CCCN6C(=O)C(N)c6ccccc6)[nH]5)ccc4c3)cc1CC2)C(C)C

HCID178502149

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)N1CCCC1c1nc2c([nH]1)-c1ccc(-c3ccc4cc(-c5cnc(C6CCCN6C(=O)C(NC(=O)CC6CCOCC6)c6ccccc6)[nH]5)ccc4c3)cc1CC2)C(C)C

HCID178502150

未命名化合物

收率 15%

PROCEDURE

实验过程

This compound was prepared using the same procedure used to make {2-Methyl-1-[2-(5-{6-[4-(2-{1-[2-phenyl-2-(2-tetrahydro-pyran-4-yl-acetylamino)-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-phenyl]-naphthalen-2-yl}-1H-imidazol-2-yl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid methyl ester using (1-{2-[7-(6-{2-[1-(2-Amino-2-phenyl-acetyl)-pyrrolidin-2-yl]-3H-imidazol-4-yl}-naphthalen-2-yl)-4,5-dihydro-1H-naphtho[1,2-d]imidazol-2-yl]-pyrrolidine-1-carbonyl}-2-methyl-propyl)-carbamic acid methyl ester (0.020 g, 0.022 mmol) to give [2-Methyl-1-(2-{7-[6-(2-{1-[2-phenyl-2-(2-tetrahydro-pyran-4-yl-acetylamino)-acetyl]-pyrrolidin-2-yl}-3H-imidazol-4-yl)-naphthalen-2-yl]-4,5-dihydro-1H-naphtho[1,2-d]imidazol-2-yl}-pyrrolidine-1-carbonyl)-propyl]-carbamic acid methyl ester (0.003 g, 15% yield). LCMS-ESI+: calc'd for C54H60N8O6: 916.46 (M+); Found: 917.44 (M+H+).

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04dae03a12554839a1ab9457750f7e14
来源数据集: uspto-grants-2015_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09156823B2
来源说明: uspto-grants-2015_10

反应 SMILES

COC(=O)NC(C(N1CCCC1C1NC(C2C=CC3C(=CC=C(C4C=CC([C:37]5[NH:38][C:39]([CH:42]6[CH2:46][CH2:45][CH2:44][N:43]6[C:47](=[O:65])[CH:48]([C:59]6[CH:64]=[CH:63][CH:62]=[CH:61][CH:60]=6)[NH:49][C:50](=[O:58])[CH2:51][CH:52]6[CH2:57][CH2:56][O:55][CH2:54][CH2:53]6)=[N:40][CH:41]=5)=CC=4)C=3)C=2)=CN=1)=O)C(C)C.[CH3:67][O:68][C:69](=[O:125])[NH:70][CH:71]([C:75]([N:77]1[CH2:81][CH2:80][CH2:79][CH:78]1[C:82]1[NH:86][C:85]2[C:87]3[C:92]([CH2:93][CH2:94][C:84]=2[N:83]=1)=[CH:91][C:90]([C:95]1[CH:104]=[CH:103][C:102]2[C:97](=[CH:98][CH:99]=[C:100](C4NC(C5CCCN5C(=O)C(N)C5C=CC=CC=5)=NC=4)[CH:101]=2)[CH:96]=1)=[CH:89][CH:88]=3)=[O:76])[CH:72]([CH3:74])[CH3:73]>>[CH3:67][O:68][C:69](=[O:125])[NH:70][CH:71]([C:75]([N:77]1[CH2:81][CH2:80][CH2:79][CH:78]1[C:82]1[NH:86][C:85]2[C:87]3[C:92]([CH2:93][CH2:94][C:84]=2[N:83]=1)=[CH:91][C:90]([C:95]1[CH:104]=[CH:103][C:102]2[C:97](=[CH:98][CH:99]=[C:100]([C:37]4[NH:38][C:39]([CH:42]5[CH2:46][CH2:45][CH2:44][N:43]5[C:47](=[O:65])[CH:48]([C:59]5[CH:60]=[CH:61][CH:62]=[CH:63][CH:64]=5)[NH:49][C:50](=[O:58])[CH2:51][CH:52]5[CH2:57][CH2:56][O:55][CH2:54][CH2:53]5)=[N:40][CH:41]=4)[CH:101]=2)[CH:96]=1)=[CH:89][CH:88]=3)=[O:76])[CH:72]([CH3:74])[CH3:73]