HRID314290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID1512561

2,4-Dimethylnicotinic acid

C8H9NO2

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(C)ccnc2C)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCCC1

HCID18406022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00ece8fec3604cf993a035dfe962fe7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:19][O:20][C:21]([CH:22]([NH:23][C:24](=[S:25])[C:26]1([CH2:31][CH2:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38])[CH2:27][CH2:28][CH2:29][CH2:30]1)[CH2:39][c:40]1[cH:41][cH:42][c:43]([NH2:46])[cH:44][cH:45]1)=[O:47].[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH3:11])[c:7]1[C:8](=[O:9])[OH:10].[Cl-:18].[Cl:12][C:13]([C:14]([Cl:15])=[O:16])=[O:17].[Cl:48][CH2:49][Cl:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:51]>>[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH3:11])[c:7]1[C:8](=[O:10])[NH:46][c:43]1[cH:42][cH:41][c:40]([CH2:39][CH:22]([C:21]([O:20][CH3:19])=[O:47])[NH:23][C:24](=[S:25])[C:26]2([CH2:31][CH2:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38])[CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:45][cH:44]1