HRID2145648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7918

Acetic anhydride

C4H6O3

HCID19660

Carbonate

CO3-2

HCID13034046

1-(3-Bromopropyl)piperidine

C8H16BrN

HCID22736791

5-Amino-2-chloropyridine-4-carboxylic acid

C6H5ClN2O2

HCID23151146

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cnc(Cl)cc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1

HCID11718567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c63d6e4c1c864d46a76de16e698541f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:40][CH2:41][CH2:42][CH2:43][N:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[BrH:39].[C:50](=[O:51])([O-:52])[O-:53].[CH3:12][C:13]([O:14][C:15](=[O:16])[CH3:17])=[O:18].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl:19][c:20]1[cH:21][c:22]2[c:23]([n:24][c:25]([CH3:36])[n:26](-[c:29]3[cH:30][cH:31][c:32]([OH:35])[cH:33][cH:34]3)[c:27]2=[O:28])[cH:37][n:38]1.[K+:54].[K+:55].[NH2:1][c:2]1[c:3]([C:4]([OH:5])=[O:6])[cH:7][c:8]([Cl:9])[n:10][cH:11]1>>[Cl:19][c:20]1[cH:21][c:22]2[c:23]([n:24][c:25]([CH3:36])[n:26](-[c:29]3[cH:30][cH:31][c:32]([O:35][CH2:41][CH2:42][CH2:43][N:44]4[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]4)[cH:33][cH:34]3)[c:27]2=[O:28])[cH:37][n:38]1