HRID1574391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8471

Triethylamine

C6H15N

HCID2737231

5-(2-pyridyl)thiophene-2-sulfonyl chloride

C9H6ClNO2S2

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)c2ccc(-c3ccccn3)s2)c1

HCID54336742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab491a71224447d7acc49a6bc84c564a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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:52][CH:53]([Cl:54])[CH3:55].[n:37]1[c:38](-[c:43]2[cH:44][cH:45][c:46]([S:48](=[O:49])(=[O:50])[Cl:51])[s:47]2)[cH:39][cH:40][cH:41][cH:42]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:48]([c:46]2[cH:45][cH:44][c:43](-[c:38]3[n:37][cH:42][cH:41][cH:40][cH:39]3)[s:47]2)(=[O:49])=[O:50])[cH:12][cH:13][cH:14]1)=[O:29]