HRID193710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID8082

Piperidine

C5H11N

HCID67990

alpha,alpha,alpha-Trifluoro-m-tolualdehyde

C8H5F3O

HCID12494993

未命名化合物

PRODUCTS

生成物

结构：O=C1C(=Cc2cccc(C(F)(F)F)c2)SC(=S)N1N=c1sc2ccccc2s1

HCID54130797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d3dfc0fa17a4079adc7e0d7badcdff5
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

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