HRID289629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID18963863

4-(Bromomethyl)-4'-fluoro-1,1'-biphenyl

C13H10BrF

HCID18963883

6-(2,2-Dimethoxyethoxy)-3,4-dihydro-1(2H)-isoquinolinone

C13H17NO4

PRODUCTS

生成物

结构：COC(COc1ccc2c(c1)CCN(Cc1ccc(-c3ccc(F)cc3)cc1)C2=O)OC

HCID18963941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c23b13613d742f088b8637ecdb74c7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][O:2][CH:3]([CH2:4][O:5][c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[C:12](=[O:16])[NH:11][CH2:10][CH2:9]2)[O:17][CH3:18].[F:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[cH:27][cH:28][c:29]([CH2:32][Br:33])[cH:30][cH:31]2)[cH:24][cH:25]1.[H-:34].[I-:37].[K+:36].[Na+:35].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[CH3:1][O:2][CH:3]([CH2:4][O:5][c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[C:12](=[O:16])[N:11]([CH2:32][c:29]1[cH:28][cH:27][c:26](-[c:23]3[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]3)[cH:31][cH:30]1)[CH2:10][CH2:9]2)[O:17][CH3:18]