HRID14872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC1(F)C=CC(c2ccnc(NCCc3ccc(O)c(F)c3)n2)=CC1CN(C1CCNCC1)S(C)(=O)=O

HCID67044948

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(N(Cc2cc(-c3ccnc(Cl)n3)ccc2F)S(C)(=O)=O)CC1

HCID86603294

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N(Cc1cc(-c2ccnc(NCCc3cccc(F)c3)n2)ccc1F)C1CCNCC1

HCID58603621

未命名化合物

PROCEDURE

实验过程

(N-(2-Fluoro-5-{2-[2-(3-Fluoro-4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-2-methoxy-benzyl)-N-piperidin-4-yl-methanesulfonamide: Intermediate 91 was coupled with intermediate 83 following procedure F. The resulting product was deprotected following procedure G. The product was purified by HPLC. LC-MS showed the product had the expected M+H+ of 518. 1H NMR (Varian 300 MHz, DMSO, shifts relative to the solvent peak at 2.50 ppm) δ 8.0 (d, 1H), 7.3-7.2 (m, 2H), 7.0 (m, 2H), 6.8 (m, 3H), 4.4 (s, 2H), 3.5 (d, 2H), 3.0 (s, 3H), 2.8-2.6 (m, 7H), 1.7 (m, 4H).

WORKUP

后处理

customThe product was purified by HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62f4212a4e9f46b8a88f1649d550ca97
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07732444B2
来源说明: uspto-grants-2010_06

反应 SMILES

[F:1][C:2]1(OC)[CH:19]=[CH:18][C:17]([C:20]2[CH:25]=[CH:24][N:23]=[C:22]([NH:26][CH2:27][CH2:28][C:29]3[CH:34]=[CH:33][C:32](O)=[C:31]([F:36])[CH:30]=3)[N:21]=2)=[CH:16][CH:3]1[CH2:4][N:5]([CH:10]1[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1)[S:6]([CH3:9])(=[O:8])=[O:7].C(OC(N1CCC(N(CC2C=C(C3C=CN=C(Cl)N=3)C=CC=2F)S(C)(=O)=O)CC1)=O)(C)(C)C>>[F:1][C:2]1[CH:19]=[CH:18][C:17]([C:20]2[CH:25]=[CH:24][N:23]=[C:22]([NH:26][CH2:27][CH2:28][C:29]3[CH:34]=[CH:33][CH:32]=[C:31]([F:36])[CH:30]=3)[N:21]=2)=[CH:16][C:3]=1[CH2:4][N:5]([CH:10]1[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1)[S:6]([CH3:9])(=[O:7])=[O:8]