HRID1422501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)n1cnc2c(NCCc3c[nH]c4ccc(OC(=O)CCCCCNC(=O)OC(C)(C)C)cc34)nc(-c3csc4ccccc34)nc21

HCID59408911

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1cnc2c(NCCc3c[nH]c4ccc(OC(=O)CCCCCN)cc34)nc(-c3csc4ccccc34)nc21

HCID59408940

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a solution of 3-(2-(2-(benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)-1H-indol-5-yl 6-(tert-butoxycarbonylamino)hexanoate (a) (80 mg, 0.117 mmol) in DCM (20 ml) was added TFA (5 ml). The reaction was stirred at rt for 3 hr. It was concentrated. Aqueous sodium carbonate solution was added and the mixture was extracted with DCM. The organic fractions were combined, dried over sodium sulfate, and concentrated to afford the product as an oil. MS m/z 582.2 (M+1).

WORKUP

后处理

concentrationIt was concentrated
additionAqueous sodium carbonate solution was added
extractionthe mixture was extracted with DCM
dry with materialdried over sodium sulfate
concentrationconcentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-248723e2bcf049b3b31caef857191e00
来源数据集: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08927281B2
来源说明: uspto-grants-2015_01

反应 SMILES

C(OC([NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([O:16][C:17]1[CH:18]=[C:19]2[C:23](=[CH:24][CH:25]=1)[NH:22][CH:21]=[C:20]2[CH2:26][CH2:27][NH:28][C:29]1[N:37]=[C:36]([C:38]2[C:39]3[CH:46]=[CH:45][CH:44]=[CH:43][C:40]=3[S:41][CH:42]=2)[N:35]=[C:34]2[C:30]=1[N:31]=[CH:32][N:33]2[CH:47]([CH3:49])[CH3:48])=[O:15])=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([O:16][C:17]1[CH:18]=[C:19]2[C:23](=[CH:24][CH:25]=1)[NH:22][CH:21]=[C:20]2[CH2:26][CH2:27][NH:28][C:29]1[N:37]=[C:36]([C:38]2[C:39]3[CH:46]=[CH:45][CH:44]=[CH:43][C:40]=3[S:41][CH:42]=2)[N:35]=[C:34]2[C:30]=1[N:31]=[CH:32][N:33]2[CH:47]([CH3:49])[CH3:48])=[O:15]