HRID154188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11123

2,4-Dichloroaniline

C6H5Cl2N

HCID166653

Hydride

H-

HCID9944116

未命名化合物

PRODUCTS

生成物

结构：COc1cc2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3cc2cc1OC

HCID10295900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1798aa09a0974622a851388c0c080522
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[CH3:44][OH:45].[Cl:12][c:13]1[c:14]([C:31]#[N:32])[cH:15][n:16][c:17]2[cH:18][c:19]3[c:20]([cH:21][c:22]12)[cH:23][c:24]([O:29][CH3:30])[c:25]([O:27][CH3:28])[cH:26]3.[H-:10].[NH2:1][c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9].[Na+:11].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9])[c:13]1[c:14]([C:31]#[N:32])[cH:15][n:16][c:17]2[cH:18][c:19]3[c:20]([cH:21][c:22]12)[cH:23][c:24]([O:29][CH3:30])[c:25]([O:27][CH3:28])[cH:26]3