HRID1148328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID62324

Propanoyl chloride

C3H5ClO

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cc[nH]n2)cc1Cl

HCID178504729

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)n1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID67192214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4feb0c6f5c4244e4aefc73539f07c2f1
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:34]([CH2:35][CH3:36])(=[O:37])[Cl:38].[CH2:39]([Cl:40])[Cl:41].[CH3:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][nH:18][cH:19][cH:20]2)[CH2:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][n:18]([C:34]([CH2:35][CH3:36])=[O:37])[cH:19][cH:20]2)[CH2:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]