HRID169579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID57950387

未命名化合物

HCID59595049

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2ncc(-c3ccc(C(F)(F)F)cc3)cc2=O)ccc1OCC(C)(C)O

HCID46927506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5555f5de8454470d900153e7d1ccf95a
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

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