HRID1391606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID235511

5-Amino-2-methylbenzenesulfonamide

C7H10N2O2S

结构：CN(c1ccc2c(c1)nc(N(C(=O)OC(C)(C)C)c1ccccc1)n2C)c1ccnc(Cl)n1

HCID59674137

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(N(C(=O)OC(C)(C)C)c3ccccc3)n4C)n2)cc1S(N)(=O)=O.Cl

HCID10312490

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following the procedure of example 60 using {5-[(2-Chloro-pyrimidin-4-yl)-methyl-amino]-1-methyl-1H-benzoimidazol-2-yl}-phenyl-carbamic acid tert-butyl ester (100 mg, 0.22 mmol) and 5-amino-2-methyl-benzenesulfonamide (41 mg, 0.22 mmol) to give the desired product as a white solid. 1H NMR (300 MHz, d6-DMSO+NaHCO3) δ 9.48 (s, 1H), 8.54 (s, 1H), 7.79 (d, J=6.3 Hz, 1H), 7.66-7.71 (M, 2H), 7.56 (d, J=1.5 Hz, 1H), 7.38 (m, 4H), 7.23-7.29 (m, 4H), 7.12 (m, 1H), 5.68 (d, J=6.0 Hz, 1H), 3.78 (s, 3H), 3.48 (s, 3H), 2.49 (s, 3H), 1.42 (s, 9H). MS (ESI) m/z=615 [M+H]+.

WORKUP

后处理

customThe title compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9572a66cb2664ca4a50f64f121a19f83
来源数据集: uspto-grants-2008_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07338959B2
来源说明: uspto-grants-2008_03

反应 SMILES

[C:1]([O:5][C:6](=[O:33])[N:7]([C:14]1[N:18]([CH3:19])[C:17]2[CH:20]=[CH:21][C:22]([N:24]([C:26]3[CH:31]=[CH:30][N:29]=[C:28]([Cl:32])[N:27]=3)[CH3:25])=[CH:23][C:16]=2[N:15]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)([CH3:4])([CH3:3])[CH3:2].[NH2:34][C:35]1[CH:36]=[CH:37][C:38]([CH3:45])=[C:39]([S:41]([NH2:44])(=[O:43])=[O:42])[CH:40]=1>>[ClH:32].[C:1]([O:5][C:6](=[O:33])[N:7]([C:14]1[N:18]([CH3:19])[C:17]2[CH:20]=[CH:21][C:22]([N:24]([CH3:25])[C:26]3[CH:31]=[CH:30][N:29]=[C:28]([NH:34][C:35]4[CH:36]=[CH:37][C:38]([CH3:45])=[C:39]([S:41](=[O:43])(=[O:42])[NH2:44])[CH:40]=4)[N:27]=3)=[CH:23][C:16]=2[N:15]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)([CH3:4])([CH3:3])[CH3:2]