HRID2067265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11198

Ethylamine hydrochloride

C2H8ClN

结构：Cc1ccc(-n2cc(CCN3CCOCC3)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11692340

未命名化合物

结构：Cc1ccc(S(=O)(=O)OCCc2cn(-c3ccc(C)c(C(=O)c4ccc(Nc5ccc(F)cc5F)cc4Cl)c3)nn2)cc1

HCID86605530

未命名化合物

PRODUCTS

生成物

结构：CCNCCc1cn(-c2ccc(C)c(C(=O)c3ccc(Nc4ccc(F)cc4F)cc3Cl)c2)nn1

HCID11677663

未命名化合物

PROCEDURE

实验过程

The reaction was carried out similarly as described in the preparation of compound 138, using compound 435 (0.24 mmol) and ethylamine hydrochloride (0.55 mg). The crude product was purified by continuous gradient flash chromatography using MeOH/DCM 0:100 to 15:85 as the eluent to afford the title compound. 13C NMR (CDCl3) δ 194.8, 159.4 (dd), 155.8 (dd), 148.6, 144.7, 140.8, 138.3, 135.4, 134.6, 133.9, 132.6, 128.2, 124.9 (dd), 124.1 (dd), 122.2, 120.8, 120.4, 116.1, 112.7, 111.7 (dd), 105.0 (dd), 46.5, 42.8, 23.2, 19.9, 12.1

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-5a1eb3db9cde4f4296fd8ac9e8c0d8e9
来源数据集: uspto-grants-2012_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: 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]([N:25]2[CH:29]=[C:28]([CH2:30][CH2:31][N:32]3CCO[CH2:34][CH2:33]3)[N:27]=[N:26]2)[CH:22]=[CH:21][C:20]=1[CH3:38])=[O:18].ClC1C=C(NC2C=CC(F)=CC=2F)C=CC=1C(C1C=C(N2C=C(CCOS(C3C=CC(C)=CC=3)(=O)=O)N=N2)C=CC=1C)=O.Cl.C(N)C>>[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]([N:25]2[CH:29]=[C:28]([CH2:30][CH2:31][NH:32][CH2:33][CH3:34])[N:27]=[N:26]2)[CH:22]=[CH:21][C:20]=1[CH3:38])=[O:18]