HRID1210030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID15594399

2-(Chloromethyl)-3,5-dimethylpyridine

C8H10ClN

结构：COc1ccc(C2=C(c3ccc(O)cc3)C(=O)C(C)(C)O2)cc1

HCID59580163

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=C(c3ccc(OCc4ncc(C)cc4C)cc3)C(=O)C(C)(C)O2)cc1

HCID59580161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22d98ebc16aa472698645fc5f85681b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:24](=[O:25])([O-:26])[O-:27].[Cl:35][CH2:36][c:37]1[n:38][cH:39][c:40]([CH3:44])[cH:41][c:42]1[CH3:43].[Cs+:28].[Cs+:29].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:45].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:12]([c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[O:11][C:10]([CH3:21])([CH3:22])[C:9]2=[O:23])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:12]([c:13]3[cH:14][cH:15][c:16]([O:19][CH3:20])[cH:17][cH:18]3)[O:11][C:10]([CH3:21])([CH3:22])[C:9]2=[O:23])[cH:6][cH:7]1)[CH2:36][c:37]1[n:38][cH:39][c:40]([CH3:44])[cH:41][c:42]1[CH3:43]