HRID1370925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)O)cc2)cc1

HCID18512213

未命名化合物

HCID178501498

未命名化合物

PRODUCTS

生成物

结构：Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCCC(=O)N[C@H](Cc3c[nH]cn3)C(=O)O)cc2)cc1

HCID178430982

未命名化合物

PROCEDURE

实验过程

The product from Example 100 (56 mg, 0.1 mmole) and H-D-His-OMe.2HCl (48 mg, 0.2 mmole) were processed as in Examples 213A and 224B to provide the title compound. 1H NMR (500 MHz, DMSO-d6) δ13.88-14.43 (m, 1 H), 8.96 (d, 2 H), 8.20 (d, 1 H), 7.38 (s, 1 H), 7.26 (m, 5 H), 7.20 (m, 1 H), 7.13 (d, 4 H), 7.04 (m, 1 H), 6.96 (m, 2 H), 6.88 (m, 4 H), 4.43-4.70 (m, 1 H), 4.04 (d, 4 H), 3.14 (m, 1 H), 2.98 (m, 1 H), 2.92 (s, 3 H), 2.39 (s, 3 H), 2.36 (m, 2 H), 2.09 (m, 2 H), 1.71 (m, 2 H); MS (APCI+) m/z 696 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cd8e7af6d7043f495655fd6320b4452
来源数据集: uspto-grants-2003_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06583180B2
来源说明: uspto-grants-2003_06

反应 SMILES

[CH2:1]([N:8]([CH2:21][C:22]1[CH:40]=[CH:39][C:25]([O:26][C:27]2[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][CH2:35][C:36](O)=[O:37])=[CH:29][CH:28]=2)=[CH:24][CH:23]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:18])=[O:17])[C:10]=1[CH3:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:41][C@@H:42]([C:49]([O:51]C)=[O:50])[CH2:43][C:44]1[N:48]=[CH:47][NH:46][CH:45]=1.Cl.Cl>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:40]=[CH:39][C:25]([O:26][C:27]2[CH:28]=[CH:29][C:30]([CH2:33][CH2:34][CH2:35][C:36]([NH:41][C@@H:42]([C:49]([OH:51])=[O:50])[CH2:43][C:44]3[N:48]=[CH:47][NH:46][CH:45]=3)=[O:37])=[CH:31][CH:32]=2)=[CH:24][CH:23]=1)[C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([NH:15][S:16]([CH3:19])(=[O:17])=[O:18])[C:10]=1[CH3:20])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1