HRID116970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID9086

3-Aminopropanol

C3H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccn(Cc3ccc(C(=O)O)cc3)n2)cc1Cl

HCID67189185

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccn(Cc3ccc(C(=O)NCCCO)cc3)n2)cc1Cl

HCID67190659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8de6ecf54f944cb789406bfb6256329d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:56]([Cl:57])[Cl:58].[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][n:18]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]3)[cH:19][cH:20]2)[CH2:31][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:37][C:38]([C:39]([Cl:40])=[O:41])=[O:42].[NH2:51][CH2:52][CH2:53][CH2:54][OH:55].[n:43]1[c:44]([CH3:45])[cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[n:17][n:18]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:26](=[O:27])[NH:51][CH2:52][CH2:53][CH2:54][OH:55])[cH:29][cH:30]3)[cH:19][cH:20]2)[CH2:31][CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]