HRID2347254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID31374

Dimethylacetamide

C4H9NO

HCID4574913

未命名化合物

反应SMILES：CCCC(c1ccc(C(=O)NCCC(=O)OC)cc1)C(c1ccc(Cl)cc1)c1c[nH]c2c(Cl)cc(Cl)cc12

HCID67262870

未命名化合物

PRODUCTS

产物

反应SMILES：CCCC(c1ccc(C(=O)NCCC(=O)OC)cc1)C(c1ccc(Cl)cc1)c1cn(C)c2c(Cl)cc(Cl)cc12

HCID67262866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a97e64276aea4ed6856f365c91a6f193
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:45][C:46]([N:47]([CH3:48])[CH3:49])=[O:50].[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH:14]([CH:15]([CH2:16][CH2:17][CH3:18])[c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[c:34]2[cH:35][nH:36][c:37]3[c:38]([Cl:44])[cH:39][c:40]([Cl:43])[cH:41][c:42]23)[cH:12][cH:13]1.[K+:6]>>[CH3:1][n:36]1[cH:35][c:34]([CH:14]([c:11]2[cH:10][cH:9][c:8]([Cl:7])[cH:13][cH:12]2)[CH:15]([CH2:16][CH2:17][CH3:18])[c:19]2[cH:20][cH:21][c:22]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[c:42]2[c:37]1[c:38]([Cl:44])[cH:39][c:40]([Cl:43])[cH:41]2