HRID1483069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21021901

tert-Butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate

C11H22N2O2

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

HCID58315440

未命名化合物

PRODUCTS

生成物

结构：C[C@@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)C[C@H](C)N1C(=O)OC(C)(C)C

HCID67240234

未命名化合物

收率 74.4%

PROCEDURE

实验过程

Following General Procedure B, 7-cyclopentyl-2-(5-formyl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide (150 mg, 0.396 mmol) and tert-butyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate (93 mg, 0.436 mmol) gave (2S,6R)-4-[6-(7-cyclopentyl-6-dimethylcarbamoyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-pyridin-3-ylmethyl]-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester (170 mg, 74%) [following SiO2 chromatography, eluting with 0-10% MeOH)/dichloromethane]. MS (ESI) m/z 577.3 (M+H)+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbceb39e990649419248e8ad9d84efcc
来源数据集: uspto-grants-2016_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09416136B2
来源说明: uspto-grants-2016_08

反应 SMILES

[CH3:1][N:2]([CH3:28])[C:3]([C:5]1[N:22]([CH:23]2[CH2:27][CH2:26][CH2:25][CH2:24]2)[C:8]2[N:9]=[C:10]([NH:13][C:14]3[CH:19]=[CH:18][C:17]([CH:20]=O)=[CH:16][N:15]=3)[N:11]=[CH:12][C:7]=2[CH:6]=1)=[O:4].[CH3:29][C@@H:30]1[CH2:35][NH:34][CH2:33][C@H:32]([CH3:36])[N:31]1[C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38]>>[C:40]([O:39][C:37]([N:31]1[C@H:32]([CH3:36])[CH2:33][N:34]([CH2:20][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]([CH3:1])[CH3:28])[N:22]([CH:23]5[CH2:24][CH2:25][CH2:26][CH2:27]5)[C:8]=4[N:9]=3)=[CH:19][CH:18]=2)[CH2:35][C@@H:30]1[CH3:29])=[O:38])([CH3:43])([CH3:41])[CH3:42]