HRID213573

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID139381

3-Chlorophenethylamine

C8H10ClN

HCID2724942

未命名化合物

HCID13020168

3-Benzoylbenzaldehyde

C14H10O2

PRODUCTS

生成物

结构：O=C(c1ccccc1)c1cccc(CNCCc2cccc(Cl)c2)c1

HCID21071618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd67ac663202488aaa8ddcc35472a0ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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