HRID1149130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7237

o-Xylene

C8H10

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID459610

4-Chloro-6,7-dimethoxyquinoline

C11H10ClNO2

HCID22132621

(4-Hydroxyphenyl)(3-methylphenyl)methanone

C14H12O2

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(C(=O)c4cccc(C)c4)cc3)c2cc1OC

HCID22132753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dfe655fcd5b4ae699161b520a3a7d42
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

[CH3:45][N:46]([CH3:47])[c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1.[Cl:17][c:18]1[cH:19][cH:20][n:21][c:22]2[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][c:27]12.[Na+:32].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[OH:33][C:34](=[O:35])[O-:36].[c:37]1([CH3:38])[c:39]([CH3:40])[cH:41][cH:42][cH:43][cH:44]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[cH:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]2)[cH:6][cH:7]1)[c:18]1[cH:19][cH:20][n:21][c:22]2[cH:23][c:24]([O:30][CH3:31])[c:25]([O:28][CH3:29])[cH:26][c:27]12