HRID165974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID2724942

未命名化合物

HCID3851764

4-(4-Chlorophenoxy)benzaldehyde

C13H9ClO2

HCID16757255

2-methyl-N-[3-(4-piperidyl)phenyl]propanamide

C15H22N2O

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(Cc3ccc(Oc4ccc(Cl)cc4)cc3)CC2)c1

HCID16756642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dbcb2fc6fe845819fd7f3a8b0f0c90e
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:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[CH3:17][CH:18]([C:19](=[O:20])[NH:21][c:22]1[cH:23][c:24]([CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:25][cH:26][cH:27]1)[CH3:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([CH:11]=[O:12])[cH:13][cH:14]2)[cH:15][cH:16]1.[Cl:54][CH2:55][CH2:56][Cl:57].[Na+:48].[Na+:53].[O-:49][C:50]([OH:51])=[O:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][c:10]([CH2:11][N:31]3[CH2:30][CH2:29][CH:28]([c:24]4[cH:23][c:22]([NH:21][C:19]([CH:18]([CH3:17])[CH3:34])=[O:20])[cH:27][cH:26][cH:25]4)[CH2:33][CH2:32]3)[cH:13][cH:14]2)[cH:15][cH:16]1