HRID44451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1ccc2c(Nc3cc(C(=O)O)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID59376892

未命名化合物

结构：CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(N)cc2)c[nH]1)c1ccccc1

HCID178484180

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc2c(Nc3cc(C(=O)Nc4ccc(-c5c[nH]c([C@@H]6CCCN6C(=O)[C@@H](c6ccccc6)N(C)C)n5)cc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID136158804

未命名化合物

收率 55.4%

PROCEDURE

实验过程

A solution of the Product of Example 2C (0.081 g, 0.21 mmol) and the product from Example 1E (0.10 g, 0.188 mmol) was processed in the same manner as in Example 1K to give a solid (0.094 g, 55%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b54e1e5426c2436ea3bbb3074dd6fd98
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08541424B2
来源说明: uspto-grants-2013_09

反应 SMILES

[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[C:10]([C@@H:13]3[CH2:17][CH2:16][CH2:15][N:14]3[C:18](=[O:29])[C@H:19]([N:26]([CH3:28])[CH3:27])[C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[NH:11][CH:12]=2)=[CH:4][CH:3]=1.[C:30]([O:34][C:35]([NH:37][C:38]1[CH:43]=[CH:42][C:41]([S:44][C:45]2[CH:53]=[CH:52][C:48]([C:49](O)=[O:50])=[CH:47][C:46]=2[NH:54][C:55]2[C:56]3[CH:64]=[CH:63][C:62]([CH:65]([CH3:67])[CH3:66])=[N:61][C:57]=3[N:58]=[CH:59][N:60]=2)=[CH:40][CH:39]=1)=[O:36])([CH3:33])([CH3:32])[CH3:31]>>[CH3:28][N:26]([CH3:27])[C@H:19]([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[C:18]([N:14]1[CH2:15][CH2:16][CH2:17][C@H:13]1[C:10]1[NH:11][CH:12]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([NH:1][C:49]([C:48]3[CH:52]=[CH:53][C:45]([S:44][C:41]4[CH:40]=[CH:39][C:38]([NH:37][C:35](=[O:36])[O:34][C:30]([CH3:33])([CH3:32])[CH3:31])=[CH:43][CH:42]=4)=[C:46]([NH:54][C:55]4[C:56]5[CH:64]=[CH:63][C:62]([CH:65]([CH3:67])[CH3:66])=[N:61][C:57]=5[N:58]=[CH:59][N:60]=4)[CH:47]=3)=[O:50])=[CH:3][CH:4]=2)[N:9]=1)=[O:29]