HRID1220390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID2736127

N,N-Dimethylindoline-5-Sulfonamide

C10H14N2O2S

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：CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cc(Cl)cc(Oc2cc(Cl)cc(C#N)c2)c1

HCID16045185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eed16f2cb64477b8fcccdaa9b909b3b
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

[CH3:23][N:24]([S:25](=[O:26])(=[O:27])[c:28]1[cH:29][c:30]2[c:34]([cH:35][cH:36]1)[NH:33][CH2:32][CH2:31]2)[CH3:37].[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.[cH:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][C:7](=[O:8])[N:33]2[CH2:32][CH2:31][c:30]3[cH:29][c:28]([S:25]([N:24]([CH3:23])[CH3:37])(=[O:26])=[O:27])[cH:36][cH:35][c:34]32)[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