HRID192766

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：CC(c1cc2cccc(Cl)c2nc1C=O)N1C(=O)c2ccccc2C1=O

HCID76599373

未命名化合物

PRODUCTS

生成物

结构：CC(c1cc2cccc(Cl)c2nc1C(=O)O)N1C(=O)c2ccccc2C1=O

HCID68942964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9ad09ea79a34799b6da68eb4c506076
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])([CH3:38])([CH3:39])[CH3:40].[CH3:31][C:32](=[CH:33][CH3:34])[CH3:35].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl+:27]([O-:28])[O-:29].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:14]([CH3:15])[N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[c:9]([CH:12]=[O:13])[n:10][c:11]12.[Cl:41][CH2:42][Cl:43].[Na+:30].[OH2:44].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:14]([CH3:15])[N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[c:9]([C:12](=[O:13])[OH:28])[n:10][c:11]12