HRID147805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2737575

3-Fluoro-5-(trifluoromethyl)benzyl bromide

C8H5BrF4

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNc1ncc(N2CCOCC2)cn1

HCID67087545

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN(Cc1cc(F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

HCID86626895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2374118f02b497abd9a725fef032cbe
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

[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:34][CH3:35])[c:8](-[c:10]2[c:11]([CH2:20][NH:21][c:22]3[n:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][n:27]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[F:36][c:37]1[cH:38][c:39]([CH2:40][Br:41])[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1.[H-:49].[Na+:50]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:34][CH3:35])[c:8](-[c:10]2[c:11]([CH2:20][N:21]([c:22]3[n:23][cH:24][c:25]([N:28]4[CH2:29][CH2:30][O:31][CH2:32][CH2:33]4)[cH:26][n:27]3)[CH2:40][c:39]3[cH:38][c:37]([F:36])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1