HRID927258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9086

3-Aminopropanol

C3H9NO

结构：CNC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1F

HCID90310718

未命名化合物

结构：N#Cc1ccc(C2NC(=O)N(c3cccc(C(F)F)c3)C3=C2C(=O)CC3)cc1

HCID90310823

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(C2C3=C(CCC3=O)N(c3cccc(C(F)F)c3)C(=O)N2C(=O)NCCCO)cc1

HCID90310879

未命名化合物

PROCEDURE

实验过程

The title compound is prepared in analogy to 4-(4-cyano-2-fluorophenyl)-N-methyl-2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-3(2H)-carboxamide (example 49), using 4-(1-(3-(difluoromethyl)phenyl)-2,5-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-4-yl)benzonitrile (example 11, 100 mg, 0.26 mmol) as starting material and replacing methylamine with 3-aminopropanol. Yield: 70 mg; ESI mass spectrum [M+H]+=481; Retention time HPLC: 0.71 min (005_CA01).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccec8465cf1b468bbb7804a22d1b1beb
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09290459B1
来源说明: uspto-grants-2016_03

反应 SMILES

[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[N:14]([C:15]([NH:17][CH3:18])=[O:16])[C:13](=[O:19])[N:12]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([F:29])(F)[F:27])[CH:21]=3)[C:11]3[CH2:30][CH2:31][C:32](=[O:33])[C:10]2=3)=[C:5](F)[CH:4]=1)#[N:2].FC(F)C1C=C(N2C3C[CH2:50][C:51](=[O:52])C=3C(C3C=CC(C#N)=CC=3)NC2=O)C=CC=1.NCCCO>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[N:14]([C:15]([NH:17][CH2:18][CH2:50][CH2:51][OH:52])=[O:16])[C:13](=[O:19])[N:12]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([CH:26]([F:27])[F:29])[CH:21]=3)[C:11]3[CH2:30][CH2:31][C:32](=[O:33])[C:10]2=3)=[CH:5][CH:4]=1)#[N:2]