HRID1114488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID68527

4-Bromobenzyl bromide

C7H6Br2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3O)n2)c1C(F)(F)F

HCID136017878

Ethyl 1-(6-(2-hydroxy-5-methylphenyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

C19H16F3N3O3

PRODUCTS

生成物

结构：CCOC(=O)c1cnn(-c2cccc(-c3cc(C)ccc3OCc3ccc(Br)cc3)n2)c1C(F)(F)F

HCID68489080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-533f43e9979e4c4ba25513aae06a6920
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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