HRID927259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID95102

1,1-Dimethylethanolamine

C4H11NO

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(C2C3=C(CCC3=O)N(c3ccnc(C(F)(F)F)c3)C(=O)N2C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

HCID90310987

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)(O)CNC(=O)N1C(=O)N(c2ccnc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1

HCID90311011

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-nitrophenyl 4-(4-cyanophenyl)-2,5-dioxo-1-(2-(tri-fluoromethyl)pyridin-4-yl)-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-3(2H)-carboxylate (intermediate 30.3, 100 mg, 0.25 mmol) as starting material and employing 1-amino-2-methylpropan-2-ol as reagent. Yield: 60 mg; ESI mass spectrum [M+H]+=514; Retention time HPLC: 0.97 min (Z018_S04).

WORKUP

后处理

custom0.97 min (Z018_S04)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-798fc14da93b4a7a9d36f7697a812e7c
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(C1C=CC(C2N(C(NC)=O)C(=O)N(C3C=CC=C(C(F)(F)F)C=3)C3CCC(=O)C2=3)=C(F)C=1)#N.[C:35]([C:37]1[CH:42]=[CH:41][C:40]([CH:43]2[N:48]([C:49](OC3C=CC([N+]([O-])=O)=CC=3)=[O:50])[C:47](=[O:61])[N:46]([C:62]3[CH:67]=[CH:66][N:65]=[C:64]([C:68]([F:71])([F:70])[F:69])[CH:63]=3)[C:45]3[CH2:72][CH2:73][C:74](=[O:75])[C:44]2=3)=[CH:39][CH:38]=1)#[N:36].[NH2:76][CH2:77][C:78]([CH3:81])([OH:80])[CH3:79]>>[C:35]([C:37]1[CH:38]=[CH:39][C:40]([CH:43]2[N:48]([C:49]([NH:76][CH2:77][C:78]([OH:80])([CH3:81])[CH3:79])=[O:50])[C:47](=[O:61])[N:46]([C:62]3[CH:67]=[CH:66][N:65]=[C:64]([C:68]([F:71])([F:70])[F:69])[CH:63]=3)[C:45]3[CH2:72][CH2:73][C:74](=[O:75])[C:44]2=3)=[CH:41][CH:42]=1)#[N:36]