HRID1887932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2735708

4-(1H-pyrazol-3-yl)benzoic acid

C10H8N2O2

结构：COC(=O)c1c(CN)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1.Cl

HCID71208427

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(CNC(=O)c2ccc(-c3ccn[nH]3)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208396

未命名化合物

PROCEDURE

实验过程

4-oxo-1-phenyl-3-{[4-(2H-pyrazol-3-yl)-benzoylamino]-methyl}-7-trifluoromethyl-1,4-dihydro-[1,8]naphthyridine-2-carboxylic acid methyl ester was prepared starting from intermediate J and 4-(2H-pyrazol-3-yl)-benzoic acid. 1H NMR (300 MHz, DMSO-d6) δ ppm 12.99 (br. s., 1H) 8.90 (d, J=7.85 Hz, 1H) 8.52 (br. s., 1H) 7.97 (d, J=8.15 Hz, 1H) 7.77-7.90 (m, 5H) 7.51-7.60 (m, 3H) 7.43 (dd, J=6.79, 2.87 Hz, 2H) 6.79 (s, 1H) 4.46 (d, J=4.53 Hz, 2 H) 3.38 (s, 3H) LCMS calcd. for C28H20F3N5O4 [(M+H)+] 547.1, obsd. 548.1.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58bac58776e7482eb52414e2ace09459
来源数据集: uspto-grants-2013_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08501732B2
来源说明: uspto-grants-2013_08

反应 SMILES

Cl.[NH2:2][CH2:3][C:4]1[C:13](=[O:14])[C:12]2[C:7](=[N:8][C:9]([C:15]([F:18])([F:17])[F:16])=[CH:10][CH:11]=2)[N:6]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[C:5]=1[C:25]([O:27][CH3:28])=[O:26].[N:29]1[NH:30][C:31]([C:34]2[CH:42]=[CH:41][C:37]([C:38](O)=[O:39])=[CH:36][CH:35]=2)=[CH:32][CH:33]=1>>[CH3:28][O:27][C:25]([C:5]1[N:6]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)[C:7]2[C:12]([C:13](=[O:14])[C:4]=1[CH2:3][NH:2][C:38](=[O:39])[C:37]1[CH:36]=[CH:35][C:34]([C:31]3[NH:30][N:29]=[CH:33][CH:32]=3)=[CH:42][CH:41]=1)=[CH:11][CH:10]=[C:9]([C:15]([F:16])([F:17])[F:18])[N:8]=2)=[O:26]