HRID1236064

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID642799

4-(bromomethyl)pyridine

C6H6BrN

结构：COc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1O

HCID135450804

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1OCc1ccncc1

HCID11037387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e59138f918cd4404b586d3e009828d39
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

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