HRID193882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID3776

Isopropanol

C3H8O

HCID1268285

4-Benzyloxy-3-chloroaniline

C13H12ClNO

HCID11358234

N-(4-Chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide

C14H12ClN3O2

PRODUCTS

生成物

结构：CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O

HCID67315262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e794602365242ca96cae4c625da10db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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