HRID2300509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12571517

Pyridine-3-sulfonyl chloride--hydrogen chloride (1/1)

C5H5Cl2NO2S

结构：CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3cncnc3)cc2)c1

HCID54341424

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(-c3cncnc3)cc2)S(=O)(=O)c2cccnc2)c1

HCID18376125

未命名化合物

PROCEDURE

实验过程

The title compound of Step B was prepared from {3-[(4-pyrimidin-5-yl-benzylamino)-methyl]-phenoxy}-acetic acid tert-butyl ester of Step A and pyridine-3-sulfonyl chloride hydrochloride, of Preparation 2, followed the method described in Example 3, Step B 1H NMR (400 MHz, CDCl3) δ 9.19 (s, 1H), 9.05 (s, 1H), 8.89 (s, 2H), 8.79 (dd, 1H), 8.06 (m, 1H), 7.65 (m, 1H), 7.44 (m, 2H), 7.24 (m, 2H), 7.12 (t, 1H), 6.74 (dd, 1H), 6.66 (m, 2H), 4.42 (s, 2H), 4.39 (s, 2H), 4.34 (s, 2H), 1.47 (s, 9H); MS 547 (M+1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d66813acef0442e4b8df7e3595a6e9f4
来源数据集: uspto-grants-2002_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06498172B1
来源说明: uspto-grants-2002_12

反应 SMILES

[C:1]([O:5][C:6](=[O:30])[CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][NH:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([C:24]3[CH:25]=[N:26][CH:27]=[N:28][CH:29]=3)=[CH:20][CH:19]=2)[CH:10]=1)([CH3:4])([CH3:3])[CH3:2].Cl.[N:32]1[CH:37]=[CH:36][CH:35]=[C:34]([S:38](Cl)(=[O:40])=[O:39])[CH:33]=1>>[C:1]([O:5][C:6](=[O:30])[CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][N:16]([S:38]([C:34]2[CH:33]=[N:32][CH:37]=[CH:36][CH:35]=2)(=[O:40])=[O:39])[CH2:17][C:18]2[CH:19]=[CH:20][C:21]([C:24]3[CH:29]=[N:28][CH:27]=[N:26][CH:25]=3)=[CH:22][CH:23]=2)[CH:10]=1)([CH3:4])([CH3:2])[CH3:3]