HRID153611

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

HCID3394

Flurbiprofen

C15H13FO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID178490387

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)NC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)nc1

HCID174588383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-660c20eabf4f41f4ace87046846db61f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:31]([Cl:32])[CH2:33][Cl:34].[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]([CH:28]([CH3:29])[NH3+:30])[n:26][cH:27]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl-:19].[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH:8]([C:9](=[O:10])[OH:11])[CH3:12])[cH:7]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[F:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:4][cH:5][c:6]([CH:8]([C:9](=[O:11])[NH:30][CH:28]([c:25]2[cH:24][cH:23][c:22]([O:21][CH3:20])[cH:27][n:26]2)[CH3:29])[CH3:12])[cH:7]1