HRID19816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773751

3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid

C8H3ClF4O2

结构：CC(C)(C)c1ccc(CNCCc2ccc(OCc3ccccc3)c(C(C)(C)C)c2)cc1

HCID68562859

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2ccc(OCc3ccccc3)c(C(C)(C)C)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

HCID68564096

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to Example 1, using [2-(4-benzyloxy-3-tert-butyl-phenyl)-ethyl]-(4-tert-butyl-benzyl)-amine (S9-C48) and 3-chloro-2-fluoro-5-(trifluoromethyl)benzoic acid. MS: 654.4 [ISP (M+H)+].

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a221f0ef6bd4aa79bc1732e7dc66764
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07745477B2
来源说明: uspto-grants-2010_06

反应 SMILES

[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][NH:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([C:25]([CH3:28])([CH3:27])[CH3:26])=[CH:21][CH:20]=2)=[CH:11][C:10]=1[C:29]([CH3:32])([CH3:31])[CH3:30])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:33][C:34]1[C:35]([F:47])=[C:36]([CH:40]=[C:41]([C:43]([F:46])([F:45])[F:44])[CH:42]=1)[C:37](O)=[O:38]>>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][N:17]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([C:25]([CH3:26])([CH3:28])[CH3:27])=[CH:21][CH:20]=2)[C:37](=[O:38])[C:36]2[CH:40]=[C:41]([C:43]([F:44])([F:45])[F:46])[CH:42]=[C:34]([Cl:33])[C:35]=2[F:47])=[CH:11][C:10]=1[C:29]([CH3:32])([CH3:31])[CH3:30])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1