HRID1204745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID7610

4-Methoxy-2-methylaniline

C8H11NO

HCID17652

2,4-Dimethoxyaniline

C8H11NO2

结构：COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)c1

HCID10646831

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(OC)c1

HCID10575845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4caef7a081014981813d51df8d1ac5fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:29][O:30][c:31]1[cH:32][c:33]([O:34][CH3:35])[cH:36][cH:37][c:38]1[NH2:39].[CH3:40][O:41][c:42]1[cH:43][cH:44][c:45]([NH2:46])[c:47]([CH3:48])[cH:49]1.[CH3:50][C:51]#[N:52].[Cl:1][c:2]1[c:3]([CH3:28])[n:4][o:5][c:6]1[NH:7][S:8](=[O:9])(=[O:10])[c:11]1[c:12]([C:16](=[O:17])[NH:18][c:19]2[c:20]([CH3:27])[cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[s:13][cH:14][cH:15]1.[OH2:53]>>[Cl:1][c:2]1[c:3]([CH3:28])[n:4][o:5][c:6]1[NH:7][S:8](=[O:9])(=[O:10])[c:11]1[c:12]([C:16](=[O:17])[NH:18][c:19]2[c:20]([O:30][CH3:29])[cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[s:13][cH:14][cH:15]1