HRID155778

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID15538

tert-Butyl 3-oxobutanoate

C8H14O3

HCID18367972

未命名化合物

PRODUCTS

生成物

结构：CC(=O)CC(=O)Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12

HCID18368229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e23e01de816493b9faa246d93840c40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:20]([CH2:21][C:22](=[O:23])[CH3:24])(=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30].[C:37]([O:38][CH2:39][CH3:40])(=[O:41])[CH3:42].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[NH2:1][c:2]1[c:3]([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[nH:4][c:5]2[cH:6][c:7]([Cl:11])[cH:8][cH:9][c:10]12.[c:43]1([CH3:44])[c:45]([CH3:46])[cH:47][cH:48][cH:49][cH:50]1>>[NH:1]([c:2]1[c:3]([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)=[O:19])[nH:4][c:5]2[cH:6][c:7]([Cl:11])[cH:8][cH:9][c:10]12)[C:20]([CH2:21][C:22](=[O:23])[CH3:24])=[O:25]