HRID665601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID16227213

2-Amino-1,3-thiazole-5-carboxamide

C4H5N3OS

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCCC2)C(=O)O)cc1Cl

HCID91064114

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(=NOC2CCCCC2)C(=O)Nc2ncc(C(N)=O)s2)cc1Cl

HCID72373116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb31bbe8dfca4dfc9a822c98f9cd1ccb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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