HRID1135144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID69460

1,2,3,4-Tetrahydroquinoline

C9H11N

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID67320261

4-(2,5-Dichloro-phenoxy)-pyrimidine-5-carboxylic acid

C11H6Cl2N2O3

PRODUCTS

产物

HCID53311618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e8312c9dbc96424d8acc67a39c1d5484
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:45](=[O:46])([OH:47])[O-:48].[CH2:35]1[CH2:36][NH:37][c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[CH2:44]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][n:8][cH:9][c:10]2[C:11](=[O:12])[OH:13])[cH:14][c:15]([Cl:18])[cH:16][cH:17]1.[Cl:20][c:21]1[cH:22][cH:23][cH:24][cH:25][n+:26]1[CH3:27].[Cl:50][CH2:51][Cl:52].[I-:19].[Na+:49]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][n:8][cH:9][c:10]2[C:11](=[O:13])[N:37]2[CH2:36][CH2:35][CH2:44][c:43]3[c:38]2[cH:39][cH:40][cH:41][cH:42]3)[cH:14][c:15]([Cl:18])[cH:16][cH:17]1