HRID119770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate Ion

CO3-2

2 次

HCID2757014

5-Bromo-2-hydroxybenzonitrile

C7H4BrNO

HCID57964905

未命名化合物

PRODUCTS

产物

HCID57964915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8941f42bbc9043518fb4cae27b1631f5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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