HRID1887933

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID333944

4-(2-Methyl-2H-tetrazol-5-yl)benzoic acid

C9H8N4O2

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(-c3nnn(C)n3)cc2)c(=O)c2ccc(C(F)(F)F)nc2n1-c1ccccc1

HCID71208701

未命名化合物

PROCEDURE

实验过程

3-{[4-(2-Methyl-2H-tetrazol-5-yl)-benzoylamino]-methyl}-4-oxo-1-phenyl-7-trifluoromethyl-1,4-dihydro-[1,8]-naphthyridine-2-carboxylic acid methyl ester was prepared starting from intermediate J and 4-(2-methyl-2H-tetrazol-5-yl)-benzoic acid. 1H NMR (300 MHz, DMSO-d6) δ ppm 8.91 (d, J=8.15 Hz, 1H) 8.71 (br. s., 1H) 8.07-8.17 (m, 2H) 7.90-8.03 (m, 3H) 7.52-7.62 (m, 3H) 7.39-7.50 (m, 2H) 4.48 (d, J=4.83 Hz, 2H) 4.44 (s, 3H) 3.41 (s, 3H). LCMS calcd. for C27H20F3N7O4 [(M+H)+] 563.1, obsd. 564.1.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc96eeab011841e090e4a17236382240
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].[CH3:29][N:30]1[N:34]=[N:33][C:32]([C:35]2[CH:43]=[CH:42][C:38]([C:39](O)=[O:40])=[CH:37][CH:36]=2)=[N:31]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:39](=[O:40])[C:38]1[CH:42]=[CH:43][C:35]([C:32]3[N:33]=[N:34][N:30]([CH3:29])[N:31]=3)=[CH:36][CH:37]=1)=[CH:11][CH:10]=[C:9]([C:15]([F:16])([F:17])[F:18])[N:8]=2)=[O:26]