HRID175820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID11534

Bromoacetonitrile

C2H2BrN

HCID19660

Carbonate

CO3-2

反应SMILES：CN(Cc1ccc(-c2ccc(O)c(Br)c2)cc1)C(=O)c1cn(C)c2ccccc12

HCID68860608

未命名化合物

PRODUCTS

产物

反应SMILES：CN(Cc1ccc(-c2ccc(OCC#N)c(Br)c2)cc1)C(=O)c1cn(C)c2ccccc12

HCID68862639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b455747062f84929897a071775595e4b
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

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