HRID528999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

结构：CCCCN(CCCC)C(=O)c1c[nH]c(-c2ccc(C(=O)OC)cc2C(=O)N2CCc3ccccc3C2)n1

HCID178449064

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CCCC)C(=O)c1cn(CC(=O)OC(C)(C)C)c(-c2ccc(C(=O)OC)cc2C(=O)N2CCc3ccccc3C2)n1

HCID71062593

未命名化合物

收率 90%

PROCEDURE

实验过程

Following a procedure analogous to that for the synthesis of Intermediate 264K, methyl 4-(4-(dibutylcarbamoyl)-1H-imidazol-2-yl)-3-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)benzoate (310 mg, 0.6 mmol) and t-butylbromoacetate (117 mg, 0.6 mmol) were converted to the title compound (300 mg, 90%). MS(ESI+) m/z 631.4 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a1af3098721458eb411c42c2dc43953
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09346795B2
来源说明: uspto-grants-2016_05

反应 SMILES

[CH2:1]([N:5]([CH2:35][CH2:36][CH2:37][CH3:38])[C:6]([C:8]1[N:9]=[C:10]([C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][C:14]=2[C:23]([N:25]2[CH2:34][CH2:33][C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[CH2:26]2)=[O:24])[NH:11][CH:12]=1)=[O:7])[CH2:2][CH2:3][CH3:4].[C:39]([O:43][C:44](=[O:47])[CH2:45]Br)([CH3:42])([CH3:41])[CH3:40]>>[C:39]([O:43][C:44](=[O:47])[CH2:45][N:11]1[CH:12]=[C:8]([C:6](=[O:7])[N:5]([CH2:1][CH2:2][CH2:3][CH3:4])[CH2:35][CH2:36][CH2:37][CH3:38])[N:9]=[C:10]1[C:13]1[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][C:14]=1[C:23]([N:25]1[CH2:34][CH2:33][C:32]2[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=2)[CH2:26]1)=[O:24])([CH3:42])([CH3:41])[CH3:40]