HRID1543281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID8076

2-Ethoxyethanol

C4H10O2

HCID9944116

未命名化合物

HCID12325879

4-Chloro-5-methoxy-2-methylaniline

C8H10ClNO

PRODUCTS

生成物

结构：COc1cc(Nc2c(C#N)cnc3cc4cc(OC)c(OC)cc4cc23)c(C)cc1Cl

HCID5330443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa549ea4ee6746ea846da972576f9a43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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