HRID199045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID24386

Thionyl chloride

Cl2OS

HCID98077

3-(4-Formylphenyl)-2-propenoic acid

C10H8O3

HCID57717474

tert-Butyl [2-amino-4-(thiophen-2-yl)phenyl]carbamate

C15H18N2O2S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)C=Cc1ccc(C=O)cc1

HCID72371098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b105a812773747538eae7e386735dd1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:7][cH:8]1.[Cl:43][CH2:44][CH2:45][Cl:46].[Cl:57][CH2:58][Cl:59].[NH2:23][c:24]1[c:25]([NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[cH:26][cH:27][c:28](-[c:30]2[s:31][cH:32][cH:33][cH:34]2)[cH:29]1.[O:18]=[CH:19][N:20]([CH3:21])[CH3:22].[OH2:56].[S:14]([Cl:15])([Cl:16])=[O:17]>>[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:13])[NH:23][c:24]2[c:25]([NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[cH:26][cH:27][c:28](-[c:30]3[s:31][cH:32][cH:33][cH:34]3)[cH:29]2)[cH:7][cH:8]1