HRID1123573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

HCID129438

1-(2,4-Dichlorophenyl)-2-phenylpropen-1-one

C15H10Cl2O

HCID178453337

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1cn(CC(C(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cn1)C(=O)O

HCID178453327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8033bd221685436282071e7b0916e656
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

[CH3:2][C:3]([CH3:4])([O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][nH:13][cH:14][n:15]1)[C:16](=[O:17])[OH:18])[CH3:19].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH3:44][CH2:45][OH:46].[Cl:20][c:21]1[c:22]([C:28]([C:29](=[CH2:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)=[O:37])[cH:23][cH:24][c:25]([Cl:27])[cH:26]1.[OH2:1]>>[CH3:2][C:3]([CH3:4])([O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][n:13]([CH2:30][CH:29]([C:28]([c:22]2[c:21]([Cl:20])[cH:26][c:25]([Cl:27])[cH:24][cH:23]2)=[O:37])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:14][n:15]1)[C:16](=[O:17])[OH:18])[CH3:19]