查数据/反应详情

HRID2153229

反应详情

EQUATION

反应方程式

HRID 2153229 的结构方程式

REACTANTS

反应物

2

结构：Cc1cccc(C)c1N

2,6-Dimethylaniline

C8H11N

结构：CCCC(=O)Cl

Butyryl chloride

C4H7ClO

PRODUCTS

生成物

1

结构：CCCC(=O)Nc1c(C)cccc1C

n-Butyranilide, 2,6-dimethyl-

C12H17NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e27e61ec8f24ebab275d4a266893e84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:10]([CH2:11][CH2:12][CH3:13])(=[O:14])[Cl:15].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH3:7])[c:8]1[NH2:9]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH3:7])[c:8]1[NH:9][C:10]([CH2:11][CH2:12][CH3:13])=[O:14]

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