HRID1370919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13141795

tert-Butyl L-methioninate--hydrogen chloride (1/1)

C9H20ClNO2S

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：CSCC[C@H](NC(=O)CCCc1ccc(Oc2ccc(CN(Cc3ccccc3)c3cccc(NS(C)(=O)=O)c3C)cc2)cc1)C(=O)O

HCID68857160

未命名化合物

PROCEDURE

实验过程

The product from Example 100 (56 mg, 0.1 mmole) and H-Met-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) δ11.65-13.33 (br.s, 1 H), 8.95 (s, 1 H), 8.07 (d, 1 H), 7.26 (m, 6 H), 7.19 (m, 3 H), 7.04 (m, 1 H), 6.97 (m, 2 H), 6.89 (m, 4 H), 4.30 (m, 1 H), 4.05 (s, 2 H), 4.02 (s, 2 H), 2.91 (s, 3 H), 2.55 (m, 2 H), 2.46 (m, 2 H), 2.39 (s, 3 H), 2.14 (m, 2 H), 2.03 (s, 3 H), 1.95 (m, 1 H), 1.80 (m, 3 H); MS (APCI+) m/z 646 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f0f645eb99a4e4b93217bcab953206f
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:47]([O:49]C(C)(C)C)=[O:48])[CH2:43][CH2:44][S:45][CH3:46].Cl>>[CH2:1]([N:8]([CH2:21][C:22]1[CH:23]=[CH:24][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:47]([OH:49])=[O:48])[CH2:43][CH2:44][S:45][CH3:46])=[O:37])=[CH:31][CH:32]=2)=[CH:39][CH:40]=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