HRID927246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6586

Methyl chlorocarbonate

C2H3ClO2

结构：CS(=O)(=O)c1cc(C#N)ccc1[C@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC2

HCID77844826

未命名化合物

结构：CCOC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1

HCID90311087

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)[C@H]1c1ccc(C#N)cc1S(C)(=O)=O

HCID90326505

未命名化合物

PROCEDURE

实验过程

The title compound is prepared in analogy to ethyl 4-(4-cyanophenyl)-2,5-dioxo-1-(3-(tri-fluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-3(2H)-carboxylate (example 31, 110 mg, 0.23 mmol), using (S)-4-(2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-4-yl)-3-(methylsulfonyl)benzonitrile (example 10A) as starting material and substituting ethyl chloroformate with methyl chloroformate. Yield: 76 mg; ESI mass spectrum [M+H]+=534; Retention time HPLC: 1.01 min (Z018_S04).

WORKUP

后处理

custom1.01 min (Z018_S04)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7529d33da774b07a2a2a40ea60e114f
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]([O:17][CH2:18]C)=[O:16])[C:13](=[O:20])[N:12]([C:21]3[CH:26]=[CH:25][CH:24]=[C:23]([C:27]([F:30])([F:29])[F:28])[CH:22]=3)[C:11]3[CH2:31][CH2:32][C:33](=[O:34])[C:10]2=3)=[CH:5][CH:4]=1)#[N:2].O=C1N(C2C=CC=C(C(F)(F)F)C=2)C2CCC(=O)C=2[C@@H](C2C=CC(C#N)=C[C:57]=2[S:64](C)(=[O:66])=[O:65])N1.ClC(OC)=O>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C@H:9]2[N:14]([C:15]([O:17][CH3:18])=[O:16])[C:13](=[O:20])[N:12]([C:21]3[CH:26]=[CH:25][CH:24]=[C:23]([C:27]([F:30])([F:29])[F:28])[CH:22]=3)[C:11]3[CH2:31][CH2:32][C:33](=[O:34])[C:10]2=3)=[C:5]([S:64]([CH3:57])(=[O:66])=[O:65])[CH:4]=1)#[N:2]