HRID808528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID96590

4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl-

C11H7Cl2NO2

HCID57904199

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCC(c2cccc(F)c2)(N(C)C)CC1

HCID11698207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-047a9f4a8b094551b13e8aaa2ed10392
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[Cl:25][c:26]1[c:27](-[c:32]2[n:33][o:34][c:35]([CH3:40])[c:36]2[C:37](=[O:38])[Cl:39])[cH:28][cH:29][cH:30][cH:31]1.[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[cH:3][c:4]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH:11]([NH2:14])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[Na+:42].[OH-:41]>>[F:1][c:2]1[cH:3][c:4]([C:8]2([N:15]([CH3:16])[CH3:17])[CH2:9][CH2:10][CH:11]([NH:14][C:37]([c:36]3[c:32](-[c:27]4[c:26]([Cl:25])[cH:31][cH:30][cH:29][cH:28]4)[n:33][o:34][c:35]3[CH3:40])=[O:38])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1