HRID309577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID81984

2-Hydroxy-2-methylpropiophenone

C10H12O2

HCID2724942

未命名化合物

HCID22270580

3-[3-Amino-1-(4-chlorophenyl)butan-2-yl]benzonitrile

C17H17ClN2

PRODUCTS

生成物

结构：CC(NC(c1ccccc1)C(C)(C)O)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1

HCID178463681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e9781ff40664c008e928a3ee7bcdcde
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

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