HRID446578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CNCCCN(C)C(=O)c1ccc(NCCCCCC(=O)N(C)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1Cl

HCID66671505

未命名化合物

结构：O=C(O)CO[C@H]1Cc2ccccc2C12CCN(CC[C@@]1(c3ccc(F)cc3)CN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO1)CC2

HCID86663420

未命名化合物

PRODUCTS

生成物

结构：CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)CCCCCNc1ccc(C(=O)N(C)CCCN(C)C(=O)CO[C@H]2Cc3ccccc3C23CCN(CC[C@@]2(c4ccc(F)cc4)CN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CO2)CC3)c(Cl)c1.Cl.Cl.Cl

HCID86761912

未命名化合物

收率 134.1%

PROCEDURE

实验过程

The compound (92.0 mg, 0.130 mmol) obtained in Example 85c and the compound (108 mg, 0.156 mmol) obtained in Example 1j were used to give the title compound (65 mg; yield, 34%) as a white solid according to the method described in Example 80c.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f8e71ba5b1e430f93784e1e9230f1b1
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08476253B2
来源说明: uspto-grants-2013_07

反应 SMILES

[C:1]1([C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C:8](=[O:44])[O:9][CH:10]1[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][N:18]([C:20](=[O:43])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][C:27]2[CH:32]=[CH:31][C:30]([C:33](=[O:41])[N:34]([CH3:40])[CH2:35][CH2:36][CH2:37][NH:38][CH3:39])=[C:29]([Cl:42])[CH:28]=2)[CH3:19])[CH2:12][CH2:11]1.[F:51][C:52]([F:99])([F:98])[C:53]1[CH:54]=[C:55]([CH:91]=[C:92]([C:94]([F:97])([F:96])[F:95])[CH:93]=1)[C:56]([N:58]1[CH2:62][C@@:61]([CH2:70][CH2:71][N:72]2[CH2:77][CH2:76][C:75]3([C:85]4[C:80](=[CH:81][CH:82]=[CH:83][CH:84]=4)[CH2:79][C@@H:78]3[O:86][CH2:87][C:88](O)=[O:89])[CH2:74][CH2:73]2)([C:63]2[CH:68]=[CH:67][C:66]([F:69])=[CH:65][CH:64]=2)[O:60][CH2:59]1)=[O:57]>>[ClH:42].[ClH:42].[ClH:42].[C:1]1([C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C:8](=[O:44])[O:9][CH:10]1[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][N:18]([C:20](=[O:43])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:26][C:27]2[CH:32]=[CH:31][C:30]([C:33](=[O:41])[N:34]([CH2:35][CH2:36][CH2:37][N:38]([C:88](=[O:89])[CH2:87][O:86][C@@H:78]3[C:75]4([CH2:76][CH2:77][N:72]([CH2:71][CH2:70][C@:61]5([C:63]6[CH:68]=[CH:67][C:66]([F:69])=[CH:65][CH:64]=6)[O:60][CH2:59][N:58]([C:56](=[O:57])[C:55]6[CH:91]=[C:92]([C:94]([F:95])([F:96])[F:97])[CH:93]=[C:53]([C:52]([F:99])([F:51])[F:98])[CH:54]=6)[CH2:62]5)[CH2:73][CH2:74]4)[C:85]4[C:80](=[CH:81][CH:82]=[CH:83][CH:84]=4)[CH2:79]3)[CH3:39])[CH3:40])=[C:29]([Cl:42])[CH:28]=2)[CH3:19])[CH2:12][CH2:11]1