HRID2091957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31268

Pyrrolidine

C4H9N

反应SMILES：CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(N)=O)n3)cc2C(=O)OC)cc1

HCID25265267

未命名化合物

PRODUCTS

产物

反应SMILES：CNC(=O)c1ccc(-c2cc(OC)c(Nc3ncc(Cl)c(Nc4ccccc4C(N)=O)n3)cc2C(=O)N2CCCC2)cc1

HCID86761837

未命名化合物

CONDITIONS

反应条件

温度: 100 °C

PROCEDURE

实验过程

The mixture of methyl 4-(4-(2-carbamoylphenylamino)-5-chloropyrimidin-2-ylamino)-5-methoxy-4′-(methylcarbamoyl)biphenyl-2-carboxylate (Step 1, 220 mg, 0.75 mmol) and 1 mL of pyrrolidine is heated at 100° C. overnight. The crude is concentrated in vacuo and applied to preparative RP-HPLC to afford 4′-(4-(2-Carbamoylphenylamino)-5-chloropyrimidin-2-ylamino)-5′-methoxy-N-methyl-2′-(pyrrolidine-1-carbonyl)biphenyl-4-carboxamide; ESMS m/z 600.2 (M+H+).

WORKUP

后处理

concentrationThe crude is concentrated in vacuo

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-976446f6b548408d8caecc8fec0399d8
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08440681B2
来源说明: uspto-grants-2013_05

反应SMILES

[C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][C:11]1[C:16]([Cl:17])=[CH:15][N:14]=[C:13]([NH:18][C:19]2[CH:20]=[C:21]([C:37]([O:39]C)=O)[C:22]([C:27]3[CH:32]=[CH:31][C:30]([C:33](=[O:36])[NH:34][CH3:35])=[CH:29][CH:28]=3)=[CH:23][C:24]=2[O:25][CH3:26])[N:12]=1)(=[O:3])[NH2:2].[NH:41]1[CH2:45][CH2:44][CH2:43][CH2:42]1>>[C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[NH:10][C:11]1[C:16]([Cl:17])=[CH:15][N:14]=[C:13]([NH:18][C:19]2[C:24]([O:25][CH3:26])=[CH:23][C:22]([C:27]3[CH:32]=[CH:31][C:30]([C:33]([NH:34][CH3:35])=[O:36])=[CH:29][CH:28]=3)=[C:21]([C:37]([N:41]3[CH2:45][CH2:44][CH2:43][CH2:42]3)=[O:39])[CH:20]=2)[N:12]=1)(=[O:3])[NH2:2]