HRID690618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID4574913

未命名化合物

HCID22142718

1-(2,4-Dichlorophenyl)-2-(1H-imidazol-2-yl)ethan-1-one

C11H8Cl2N2O

HCID86586215

未命名化合物

PRODUCTS

生成物

结构：COC(=S)C(CC(C(=O)c1ccc(Cl)cc1Cl)c1ncc[nH]1)c1ccccc1

HCID54447738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3235dafb41444fcfb804c9ff25445193
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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