HRID94171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID66810425

4-Chloro-3-(1-cyano-1-methylethyl)benzoic acid

C11H10ClNO2

HCID86644686

N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]acetamide

C16H12N4O2S

PRODUCTS

产物

HCID59454491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-05b1c9a9be4f42a8ae5ee3a4ec3b3453
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

[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:1][c:2]1[c:3]([C:11]([CH3:12])([CH3:13])[C:14]#[N:15])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[NH2:27][c:28]1[cH:29][c:30]([O:31][c:32]2[c:33]([C:45]#[N:46])[c:34]3[c:35]([n:36][c:37]([NH:39][C:40]([CH3:41])=[O:42])[s:38]3)[cH:43][cH:44]2)[cH:47][cH:48][cH:49]1.[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[Cl:1][c:2]1[c:3]([C:11]([CH3:12])([CH3:13])[C:14]#[N:15])[cH:4][c:5]([C:6](=[O:8])[NH:27][c:28]2[cH:29][c:30]([O:31][c:32]3[c:33]([C:45]#[N:46])[c:34]4[c:35]([n:36][c:37]([NH:39][C:40]([CH3:41])=[O:42])[s:38]4)[cH:43][cH:44]3)[cH:47][cH:48][cH:49]2)[cH:9][cH:10]1