HRID716534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[nH]1)C(C)C

HCID57462153

未命名化合物

结构：CCOC(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)Nc1cn2cc(Br)sc2n1)c1ccccc1

HCID67240827

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)sc2n1)c1ccccc1

HCID67242208

未命名化合物

收率 11%

PROCEDURE

实验过程

Compound A55 was synthesized from compounds 44 (0.125 mmol) and 8 (0.187 mmol), following the procedure as described for compound A1, to give compound A55 as a lyophilized white solid in 11% yield. MS (ESI, EI+) m/z=810.2 (MH+).

WORKUP

后处理

customto give compound A55 as a lyophilized white solid in 11% yield

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e17645a2495a4836b9fa8a9f40e09bb4
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09187496B2
来源说明: uspto-grants-2015_11

反应 SMILES

[CH2:1]([O:3][C:4](=[O:32])[NH:5][C@@H:6]([C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)[C:7]([N:9]1[CH2:13][CH2:12][CH2:11][C@@H:10]1[C:14](=[O:25])[NH:15][C:16]1[N:17]=[C:18]2[N:22]([CH:23]=1)[CH:21]=[C:20](Br)[S:19]2)=[O:8])[CH3:2].[CH3:33][O:34][C:35](=[O:68])[NH:36][C@H:37]([C:41]([N:43]1[CH2:47][CH2:46][CH2:45][C@H:44]1[C:48]1[NH:49][C:50]([C:53]2[CH:58]=[CH:57][C:56](B3OC(C)(C)C(C)(C)O3)=[CH:55][CH:54]=2)=[CH:51][N:52]=1)=[O:42])[CH:38]([CH3:40])[CH3:39]>>[CH3:33][O:34][C:35](=[O:68])[NH:36][C@H:37]([C:41]([N:43]1[CH2:47][CH2:46][CH2:45][C@H:44]1[C:48]1[NH:49][C:50]([C:53]2[CH:54]=[CH:55][C:56]([C:20]3[S:19][C:18]4=[N:17][C:16]([NH:15][C:14]([C@@H:10]5[CH2:11][CH2:12][CH2:13][N:9]5[C:7](=[O:8])[C@H:6]([NH:5][C:4]([O:3][CH2:1][CH3:2])=[O:32])[C:26]5[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=5)=[O:25])=[CH:23][N:22]4[CH:21]=3)=[CH:57][CH:58]=2)=[CH:51][N:52]=1)=[O:42])[CH:38]([CH3:40])[CH3:39]