HRID2155132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID74108

2,4,6-Trimethylbenzyl chloride

C10H13Cl

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C1c2cccc(O)c2C(=O)c2c(Cl)ccc(Cl)c21

HCID10891675

1,4-dichloro-5-hydroxy-9,10-Anthracenedione

C14H6Cl2O3

PRODUCTS

生成物

结构：Cc1cc(C)c(COc2cccc3c2C(=O)c2c(Cl)ccc(Cl)c2C3=O)c(C)c1

HCID14397959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab7e0e9444b3401bb26cb4a7892b782d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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