HRID299304

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID25801

2-Chloro-4-(methylsulfonyl)aniline

C7H8ClNO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：N#Cc1cc(Cl)cc(Oc2cc(Cl)cc(OCC(=O)Cl)c2)c1

HCID59511713

[3-Chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]acetyl chloride

C15H8Cl3NO3

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)cc(Oc3cc(Cl)cc(C#N)c3)c2)c(Cl)c1

HCID16044964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23df524935434530b5376c0f4b65a1f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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