HRID683408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CON(C)C(=O)Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(CO)cc21

HCID22563215

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2sc(CCl)cc21

HCID22563219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc8efe5ba7e0417da4ca31aa4652e883
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

[CH3:40][S:41]([Cl:42])(=[O:43])=[O:44].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:28])[c:12]3[c:13]([n:14]([CH2:16][C:17](=[O:18])[N:19]([CH3:20])[O:21][CH3:22])[cH:15]2)[cH:23][c:24]([CH2:26][OH:27])[s:25]3)[cH:29][cH:30]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:45].[n:31]1[c:32]([CH3:33])[cH:34][c:35]([CH3:36])[cH:37][c:38]1[CH3:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:28])[c:12]3[c:13]([n:14]([CH2:16][C:17](=[O:18])[N:19]([CH3:20])[O:21][CH3:22])[cH:15]2)[cH:23][c:24]([CH2:26][Cl:42])[s:25]3)[cH:29][cH:30]1