HRID2067204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：Cc1ccc(-c2cn(CCOC3CCCCO3)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11706669

未命名化合物

反应SMILES：C#Cc1ccc(C)c(C(=O)c2ccc(Nc3ccc(F)cc3F)cc2Cl)c1

HCID58677657

未命名化合物

HCID61342515

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(-c2cn(CCNS(C)(=O)=O)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11526777

未命名化合物

PROCEDURE

实验过程

The reaction was carried out similarly as described in the preparation of compound 101, using compound 407 (0.87 mmol) and compound 413 (1.3 mmol). The crude product was purified by continuous gradient flash chromatography using EtOAc/petroleum ether (40-60) 65:35 to 85:15 as the eluent to afford the title compound as almost white solid. 13C NMR (DMSO-d6) δ 194.9, 158.7 (dd), 155.7 (dd), 149.4, 145.3, 139.8, 135.9, 133.7, 133.7, 131.7, 128.2, 127.1, 126.5, 126.4 (dd), 124.9, 124.1 (dd), 121.9, 114.8, 111.9 (dd), 111.8, 105.0 (dd), 49.8, 42.2, 39.5, 19.4

WORKUP

后处理

customThe crude product was purified by continuous gradient flash chromatography

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6470cfcf57cf4ae1b9d502b9b96296de
来源数据集: uspto-grants-2012_10
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08293772B2
来源说明: uspto-grants-2012_10

反应SMILES

[Cl:1][C:2]1[CH:7]=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([F:15])=[CH:11][C:10]=2[F:16])[CH:5]=[CH:4][C:3]=1[C:17]([C:19]1[CH:24]=[C:23]([C:25]2[N:26]=[N:27][N:28]([CH2:30][CH2:31]OC3CCCCO3)[CH:29]=2)[CH:22]=[CH:21][C:20]=1[CH3:39])=[O:18].ClC1C=C(NC2C=CC(F)=CC=2F)C=CC=1C(C1C=C(C#C)C=CC=1C)=O.N(CC[NH:72][S:73]([CH3:76])(=[O:75])=[O:74])=[N+]=[N-]>>[Cl:1][C:2]1[CH:7]=[C:6]([NH:8][C:9]2[CH:14]=[CH:13][C:12]([F:15])=[CH:11][C:10]=2[F:16])[CH:5]=[CH:4][C:3]=1[C:17]([C:19]1[CH:24]=[C:23]([C:25]2[N:26]=[N:27][N:28]([CH2:30][CH2:31][NH:72][S:73]([CH3:76])(=[O:75])=[O:74])[CH:29]=2)[CH:22]=[CH:21][C:20]=1[CH3:39])=[O:18]