HRID165723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID78392

2,6-Dichlorobenzoyl chloride

C7H3Cl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)C(Cc1ccc(N)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCCC1

HCID18405988

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCCC1

HCID18406026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e2a4f3552624b57b7314ed2324a2d77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[S:7])[C:8]1([CH2:13][CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([NH2:28])[cH:26][cH:27]1)=[O:29].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:30][c:31]1[c:32]([C:33](=[O:34])[Cl:35])[c:36]([Cl:40])[cH:37][cH:38][cH:39]1.[Cl:50][CH2:51][Cl:52].[OH2:53]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[S:7])[C:8]1([CH2:13][CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[CH3:20])[CH2:9][CH2:10][CH2:11][CH2:12]1)[CH2:21][c:22]1[cH:23][cH:24][c:25]([NH:28][C:33]([c:32]2[c:31]([Cl:30])[cH:39][cH:38][cH:37][c:36]2[Cl:40])=[O:34])[cH:26][cH:27]1)=[O:29]