HRID1853203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID95576

Propanoic acid, 2-bromo-, methyl ester

C4H7BrO2

结构：CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1

HCID44631912

Ribociclib

C23H30N8O

PRODUCTS

生成物

结构：COC(=O)C(C)N1CCN(c2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1

HCID58315412

未命名化合物

收率 39%

PROCEDURE

实验过程

Following General Procedure D, 7-cyclopentyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide (100 mg, 0.230 mmol) and 2-bromo propionic acid methyl ester (31 mL, 0.28 mmol) gave 2-{4-[6-(7-cyclopentyl-6-dimethylcarbamoyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-pyridin-3-yl]-piperazin-1-yl}-propionic acid methyl ester (46 mg, 39%). MS (ESI) m/z 521.4 (M+H)+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08216f4d4f1e45fa999fb4e5b7b6cae9
来源数据集: uspto-grants-2015_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08962630B2
来源说明: uspto-grants-2015_02

反应 SMILES

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