HRID1024080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(=O)OCc1c(-c2nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c3ncn(COCC[Si](C)(C)C)c3n2)cc(F)cc1N1CCn2c(cc3c2CCCC3)C1=O

HCID86684154

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c3nc[nH]c3n2)cc(F)cc1N1CCn2c(cc3c2CCCC3)C1=O

HCID178475812

未命名化合物

收率 30.1%

PROCEDURE

实验过程

A mixture of 117g (550 mg, 0.660 mmol) and CF3COOH (6 mL) was stirred at room temperature for 2 h. It was then concentrated under reduced pressure to afford crude 117h as a yellow solid (140 mg, 30%), which was used in the next step without further purification. MS-ESI: [M+H]+ 706.4

WORKUP

后处理

concentrationIt was then concentrated under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e95fa5a1cb04aa29d360ee751f1587a
来源数据集: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08722676B2
来源说明: uspto-grants-2014_05

反应 SMILES

[C:1]([O:4][CH2:5][C:6]1[C:11]([N:12]2[CH2:24][CH2:23][N:15]3[C:16]4[CH2:17][CH2:18][CH2:19][CH2:20][C:21]=4[CH:22]=[C:14]3[C:13]2=[O:25])=[CH:10][C:9]([F:26])=[CH:8][C:7]=1[C:27]1[N:35]=[C:34]2[C:30]([N:31]=[CH:32][N:33]2COCC[Si](C)(C)C)=[C:29]([NH:44][C:45]2[CH:50]=[CH:49][C:48]([N:51]3[CH2:56][CH2:55][N:54]([CH:57]4[CH2:60][O:59][CH2:58]4)[CH2:53][CH2:52]3)=[CH:47][CH:46]=2)[N:28]=1)(=[O:3])[CH3:2].C(O)(C(F)(F)F)=O>>[C:1]([O:4][CH2:5][C:6]1[C:11]([N:12]2[CH2:24][CH2:23][N:15]3[C:16]4[CH2:17][CH2:18][CH2:19][CH2:20][C:21]=4[CH:22]=[C:14]3[C:13]2=[O:25])=[CH:10][C:9]([F:26])=[CH:8][C:7]=1[C:27]1[N:35]=[C:34]2[C:30]([N:31]=[CH:32][NH:33]2)=[C:29]([NH:44][C:45]2[CH:46]=[CH:47][C:48]([N:51]3[CH2:52][CH2:53][N:54]([CH:57]4[CH2:58][O:59][CH2:60]4)[CH2:55][CH2:56]3)=[CH:49][CH:50]=2)[N:28]=1)(=[O:3])[CH3:2]