HRID873898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12411318

3-Methyl-5-nitro-1,2-benzoxazole

C8H6N2O3

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(Nc1ccc2onc(C)c2c1)c1ccc(Cl)cc1

HCID117702715

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21226206

未命名化合物

PROCEDURE

实验过程

The title product was prepared in analogy to the procedure described in Step 46.12 using ethyl 4-((4-chlorophenyl)(hydroxy)methyl)-1-(2,4-dimethoxypyrimidin-5-yl)-5-isopropyl-1H-pyrazole-3-carboxylate (Step 46.11) and 3-methyl-5-nitrobenzo[d]isoxazole (Step 33.3). tR: 1.34 min (LC-MS 2); ESI-MS: 591 [M+H]+ (LC-MS 2); Rf=0.25 (hexane/EtOAc 1:1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5be75054ada64bab8599ded36321ec29
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[C:38]2[CH:39]=[C:40]([N+:43]([O-])=O)[CH:41]=[CH:42][C:37]=2[O:36][N:35]=1>CCCCCC.CCOC(C)=O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([NH:43][C:40]2[CH:41]=[CH:42][C:37]3[O:36][N:35]=[C:34]([CH3:33])[C:38]=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]([CH3:16])[CH3:15])=[CH:6][CH:7]=1