HRID524638

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-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID118107610

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-c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID118107564

未命名化合物

收率 58%

PROCEDURE

实验过程

Ethyl 6-(bromomethyl)-4-(5-fluoro-3′,5′-bis(trifluoromethyl)-[1,1′-biphenyl]-2-yl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate (3.37 g, 5.3 mmol) was reacted with (S)-morpholine-3-carboxylic acid (0.69 g, 5.3 mmol) according to the procedure described in Example 1, Step C to give the title compound as a yellow solid (2.11 g, 58%). 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-323cdfd358ec4f1a846ce118142550d4
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]=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:24]=[C:23]([C:31]([F:34])([F:33])[F:32])[CH:22]=2)[C:4]=1[C:35]([O:37][CH2:38][CH3:39])=[O:36].[NH:40]1[CH2:45][CH2:44][O:43][CH2:42][C@H:41]1[C:46]([OH:48])=[O:47]>>[CH2:38]([O:37][C:35]([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]=[C:23]([C:31]([F:32])([F:34])[F:33])[CH:24]=[C:25]([C:27]([F:29])([F:30])[F:28])[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:40]1[CH2:45][CH2:44][O:43][CH2:42][C@H:41]1[C:46]([OH:48])=[O:47])=[O:36])[CH3:39]