HRID102432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID10014651

(3-Bromomethyl-phenyl)-acetic acid methyl ester

C10H11BrO2

HCID68432501

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2c(N)nc3ccccc3c2n1CCCN(CCCO)Cc1cccc(CC(=O)OC)c1

HCID68432245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a0cae728a0945b8bd08740e5fd261f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:27][CH2:28][c:29]1[cH:30][c:31]([CH2:35][C:36](=[O:37])[O:38][CH3:39])[cH:32][cH:33][cH:34]1.[C:40](=[O:41])([O-:42])[O-:43].[K+:44].[K+:45].[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:23][CH2:24][CH2:25][CH3:26])[n:14]2[CH2:15][CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21][OH:22].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:23][CH2:24][CH2:25][CH3:26])[n:14]2[CH2:15][CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH2:21][OH:22])[CH2:28][c:29]1[cH:30][c:31]([CH2:35][C:36](=[O:37])[O:38][CH3:39])[cH:32][cH:33][cH:34]1