HRID1137768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID85518

2-Thiophenesulfonyl chloride

C4H3ClO2S2

结构：CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3nccs3)cc2)c1

HCID53752425

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cccs2)c1

HCID54122235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a623aef960ce41148118b43769b0f184
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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