HRID2333659

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-

HCID22328069

未命名化合物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3O)n2)c1C(F)(F)F

HCID136298134

1H-Pyrazole-4-carboxylic acid, 1-[6-(2-hydroxyphenyl)-2-pyridinyl]-5-(trifluoromethyl)-, ethyl ester

C18H14F3N3O3

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cccc(-c3ccccc3OC(F)(F)c3ccc(Br)cc3)n2)c1C(F)(F)F

HCID86633499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e5b1ee2d899498a8901635f11be13b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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