HRID1115172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8501

4-Chlorobenzoyl chloride

C7H4Cl2O

HCID81531

Diisopropylethylamine

C8H19N

HCID2724942

未命名化合物

HCID21092877

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(OC)cc2)c2ccccc21

HCID21092878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3d6ccaa5043415c97615acb6b276c7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[CH:23]([CH3:24])=[O:25].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:49][C:50](=[O:51])[c:52]1[cH:53][cH:54][c:55]([Cl:56])[cH:57][cH:58]1.[Cl:59][CH2:60][Cl:61].[NH2:1][CH:2]1[CH2:3][CH:4]([CH3:22])[N:5]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[Na+:39]>>[N:1]([CH:2]1[CH2:3][CH:4]([CH3:22])[N:5]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21)([CH2:23][CH3:24])[C:50](=[O:51])[c:52]1[cH:53][cH:54][c:55]([Cl:56])[cH:57][cH:58]1