HRID140476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID308483

3-Cyanobenzoyl chloride

C8H4ClNO

HCID14523560

1-{4-[(3-Aminophenyl)methoxy]-2-hydroxy-3-propylphenyl}ethan-1-one

C18H21NO3

PRODUCTS

生成物

结构：CCCc1c(OCc2cccc(NC(=O)c3cccc(C#N)c3)c2)ccc(C(C)=O)c1O

HCID68431147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39c1a64c65f94ffcb50aaf1405a367af
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:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[Cl:8])[cH:9][cH:10][cH:11]1.[CH2:34]([N:35]([CH2:36][CH3:37])[CH2:38][CH3:39])[CH3:40].[Cl:41][CH2:42][Cl:43].[NH2:12][c:13]1[cH:14][c:15]([CH2:16][O:17][c:18]2[c:19]([CH2:28][CH2:29][CH3:30])[c:20]([OH:27])[c:21]([C:24]([CH3:25])=[O:26])[cH:22][cH:23]2)[cH:31][cH:32][cH:33]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:12][c:13]2[cH:14][c:15]([CH2:16][O:17][c:18]3[c:19]([CH2:28][CH2:29][CH3:30])[c:20]([OH:27])[c:21]([C:24]([CH3:25])=[O:26])[cH:22][cH:23]3)[cH:31][cH:32][cH:33]2)[cH:9][cH:10][cH:11]1