HRID165580

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID32051

Zinc (II) cation

Zn+2

HCID60993

2-Aminoethyldiethylamine

C6H16N2

HCID14502042

3-[4-(Dimethylamino)phenyl]-2-benzofuran-1(3H)-one

C16H15NO2

结构：CCN(CC)C(=O)c1ccccc1C(O)c1ccc(N(C)C)cc1

HCID14502043

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCN1C(=O)c2ccccc2C1c1ccc(N(C)C)cc1

HCID3088045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c627d5446d6d402f8cdb5782da70f7b8
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

[CH2:20]([N:21]([CH2:22][CH3:23])[C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][c:31]1[CH:32]([OH:33])[c:34]1[cH:35][cH:36][c:37]([N:38]([CH3:39])[CH3:40])[cH:41][cH:42]1)[CH3:43].[CH2:44]([CH3:45])[N:46]([CH2:47][CH2:48][NH2:49])[CH2:50][CH3:51].[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[O:10][C:11](=[O:18])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]32)[cH:7][cH:8]1)[CH3:19].[Cl-:52].[Cl-:54].[Zn+2:53]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[c:17]3[c:12]([cH:13][cH:14][cH:15][cH:16]3)[C:11](=[O:18])[N:49]2[CH2:48][CH2:47][N:46]([CH2:44][CH3:45])[CH2:50][CH3:51])[cH:7][cH:8]1)[CH3:19]