HRID2324431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID20394

2-(Chloromethyl)quinoline

C10H8ClN

HCID81531

Diisopropylethylamine

C8H19N

HCID10354956

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(-c2noc(C3CCCCN3Cc3ccc4ccccc4n3)n2)c1

HCID10069268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c0df12ed4fd48d9af461ae54aeb84e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:21][CH2:22][c:23]1[n:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31][cH:32]1.[ClH:20].[ClH:42].[NH:1]1[CH:2]([c:7]2[n:8][c:9](-[c:12]3[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19]3)[n:10][o:11]2)[CH2:3][CH2:4][CH2:5][CH2:6]1.[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:54]>>[N:1]1([CH2:22][c:23]2[n:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[cH:31][cH:32]2)[CH:2]([c:7]2[n:8][c:9](-[c:12]3[cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19]3)[n:10][o:11]2)[CH2:3][CH2:4][CH2:5][CH2:6]1