HRID1541851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：O=c1[nH]c2cc(Cl)ccc2c(=O)n1Cc1ccc(Br)cc1F

HCID14423799

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(Cl)cc21

HCID11431340

Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate

C19H15BrClFN2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d07a09dfd134033b5c8b0ec66521df3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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