HRID1208366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID70048

Norcyclizine

C17H20N2

HCID2773978

4'-Methyl[1,1'-biphenyl]-3-carboxylic acid

C14H12O2

PRODUCTS

生成物

结构：Cc1ccc(-c2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1

HCID19430278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c45f26c5a3340f9940ff1d2fce72fab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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