HRID873921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75357449

未命名化合物

结构：CCOC(=O)c1nn(-c2cnc(OC)nc2OC)c(C(C)C)c1C(O)c1ccc(Cl)cc1

HCID89602026

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nn(-c2cnc(OC)nc2OC)c(C(C)C)c1C(Nc1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1

HCID117702746

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedure described in Step 10.3 using ethyl 4-((4-chlorophenyl)(hydroxy)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylate (Step 46.11) and 3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-amine (Step 67.4) overnight at RT. tR: 1.02 min (LC-MS 2); ESI-MS: 605 [M+H]+ (LC-MS 2).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4f60ca018824310a1900578559d24dc
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08975417B2
来源说明: uspto-grants-2015_03

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8](O)[C:9]2[C:10]([C:27]([O:29][CH2:30][CH3:31])=[O:28])=[N:11][N:12]([C:17]3[C:18]([O:25][CH3:26])=[N:19][C:20]([O:23][CH3:24])=[N:21][CH:22]=3)[C:13]=2[CH:14]([CH3:16])[CH3:15])=[CH:4][CH:3]=1.[CH3:33][C:34]1[N:38]2[CH:39]=[C:40]([NH2:44])[CH:41]=[C:42]([CH3:43])[C:37]2=[N:36][N:35]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([NH:44][C:40]2[CH:41]=[C:42]([CH3:43])[C:37]3[N:38]([C:34]([CH3:33])=[N:35][N:36]=3)[CH:39]=2)[C:9]2[C:10]([C:27]([O:29][CH2:30][CH3:31])=[O:28])=[N:11][N:12]([C:17]3[C:18]([O:25][CH3:26])=[N:19][C:20]([O:23][CH3:24])=[N:21][CH:22]=3)[C:13]=2[CH:14]([CH3:15])[CH3:16])=[CH:4][CH:3]=1