HRID289792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID69873

4-Phenylpiperidine

C11H15N

HCID2724942

未命名化合物

HCID56851422

6-(4-Formylphenoxy)pyridine-3-carboxamide

C13H10N2O3

PRODUCTS

生成物

结构：NC(=O)c1ccc(Oc2ccc(CN3CCC(c4ccccc4)CC3)cc2)nc1

HCID59730059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b68933ec3ae49db8b3fa88e9d3c70ed
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:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:46][C:47](=[O:48])[OH:49].[CH:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([O:20][c:21]2[n:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]2)[cH:30][cH:31]1.[Cl:50][CH2:51][CH2:52][Cl:53].[ClH:1].[Na+:45].[c:2]1([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][c:16]3[cH:17][cH:18][c:19]([O:20][c:21]4[n:22][cH:23][c:24]([C:25](=[O:26])[NH2:27])[cH:28][cH:29]4)[cH:30][cH:31]3)[CH2:12][CH2:13]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1