HRID2131557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID205112

Cyclohexanecarboxylic acid, 1-(p-chlorophenoxy)-

C13H15ClO3

HCID409715

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C1(Oc2ccc(Cl)cc2)CCCCC1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

HCID10196285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93364875b7db4422ac59b12cd67e985f
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

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