HRID180738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8166

Dodecanoyl chloride

C12H23ClO

HCID79103

2-Ethylhexanoyl chloride

C8H15ClO

HCID245736

2,5-Diphenyl-1,2-dihydro-3H-pyrazol-3-one

C15H12N2O

PRODUCTS

生成物

结构：CCCCCCCCCCCC(=O)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O

HCID20129861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bb6ab292392445de83821fbe287ea641
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])(=[O:41])[Cl:42].[CH2:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH3:24])[C:25]([Cl:26])=[O:27])[CH3:28].[c:1]1(-[n:7]2[nH:8][c:9](-[c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:10][c:11]2=[O:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[n:7]2[nH:8][c:9](-[c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[c:10]([C:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40])=[O:41])[c:11]2=[O:12])[cH:2][cH:3][cH:4][cH:5][cH:6]1