HRID184927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7609

Benzene, 1,2-dichloro-4-(chloromethyl)-

C7H5Cl3

HCID166653

Hydride

H-

HCID19073682

未命名化合物

结构：CC(=O)C(Cc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1

HCID19073792

未命名化合物

PRODUCTS

生成物

结构：COC(OC)c1ccc(C(Cc2ccc(Cl)c(Cl)c2)C(C)=O)cc1

HCID19073731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3520fe30247345f3ae7e4961d28a94f5
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

[CH2:76]([O:77][CH2:78][CH3:79])[CH3:80].[CH3:27][O:28][CH:29]([c:30]1[cH:31][cH:32][c:33]([CH2:36][C:37]([CH3:38])=[O:39])[cH:34][cH:35]1)[O:40][CH3:41].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[Cl:42][c:43]1[cH:44][c:45]([CH2:46][Cl:47])[cH:48][cH:49][c:50]1[Cl:51].[H-:1].[Na+:2].[OH:52][C:53]([CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH2:59][C:60](=[O:61])[OH:62])[OH:63])=[O:64].[c:3]1(-[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[cH:10][cH:11][c:12]([CH:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[C:22](=[O:23])[CH3:24])[cH:25][cH:26]1.[cH:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[CH3:27][O:28][CH:29]([c:30]1[cH:31][cH:32][c:33]([CH:36]([C:37]([CH3:38])=[O:39])[CH2:46][c:45]2[cH:44][c:43]([Cl:42])[c:50]([Cl:51])[cH:49][cH:48]2)[cH:34][cH:35]1)[O:40][CH3:41]