HRID933606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

HCID14817

Phosphorus pentasulfide

P4S10

结构：CCOC(=O)Cc1nn(Cc2ccc(Br)c(Cl)c2)c(=O)c2ccccc12

HCID20495807

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1nn(Cc2ccc(Br)c(Cl)c2)c(=S)c2ccccc12

HCID20495820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e10f69b250434789b7cf424422b34848
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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