HRID1370923

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15602445

未命名化合物

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

HCID18512213

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](CCC(N)=O)C(=O)O)cc2)cc1

HCID21130134

未命名化合物

PROCEDURE

实验过程

The product from Example 100 (56 mg, 0.1 mmole) and H-Gln-OtBu HCl (48 mg, 0.2 mmole) were processed as in Example 213A-B to provide the title compound. 1H NMR (500 MHz, DMSO-d6) δ11.53-13.22 (br.s, 1 H), 8.95 (s, 1 H), 8.06 (d, 1 H), 7.26 (m, 6 H), 7.18 (m, 3 H), 7.04 (m, 1 H), 6.96 (m, 2 H), 6.88 (m, 4 H), 6.73 (br.s, 2 H), 4.15 (m, 1 H), 4.06 (s, 2 H), 4.02 (s, 2 H), 2.91 (s, 3 H), 2.54 (t, 2 H), 2.39 (s, 3 H), 2.13 (m, 4 H), 1.93 (m, 1 H), 1.75 (m, 3 H); MS (APCI+) m/z 687 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4e81ce944214f22a878a64678972bce
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(CCCC(O)=O)=[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:48]([O:50]C(C)(C)C)=[O:49])[CH2:43][CH2:44][C:45](=[O:47])[NH2:46].Cl>>[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:21]([CH2:22][CH2:23][CH2:24][C:25]([NH:41][C@H:42]([C:48]([OH:50])=[O:49])[CH2:43][CH2:44][C:45](=[O:47])[NH2:46])=[O:26])=[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:3]=[CH:4][CH:5]=[CH:6][CH:7]=1