HRID294822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID90297

1-(Bromomethyl)-2,4-difluorobenzene

C7H5BrF2

结构：COC(=O)c1ccc(C)c(-n2c(C)cc(O)cc2=O)c1

HCID54724193

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)cc2=O)c1

HCID22050431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a00441fdd3454615b0b4b9160deab8df
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

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