HRID524634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1501894

(S)-morpholine-3-carboxylic acid

C5H9NO3

结构：CCOC(=O)C1=C(CBr)NC(c2nccs2)=NC1c1ccc(F)cc1-c1ccc(C(F)(F)F)cc1

HCID118107602

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)O)NC(c2nccs2)=NC1c1ccc(F)cc1-c1ccc(C(F)(F)F)cc1

HCID73295974

未命名化合物

收率 50%

PROCEDURE

实验过程

Ethyl 6-(bromomethyl)-4-(5-fluoro-4′-(trifluoromethyl)-[1,1′-biphenyl]-2-yl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate (3 g, 5.3 mmol) was reacted with (S)-morpholine-3-carboxylic acid (0.69 g, 5.3 mmol) according to the procedure as described in Example 1, Step C to give the title compound as a yellow solid (1.64 g, 50%). The compound was characterized by the following spectroscopic data:

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22f00e607e8e44fd86ea8fe20afca747
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09340538B2
来源说明: uspto-grants-2016_05

反应 SMILES

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