HRID198313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID9839651

4-(4-chlorobenzoyl)benzyl bromide

C14H10BrClO

反应SMILES：Cc1n[nH]c2cnn(C(C)(C)C)c(=O)c12

HCID178434370

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nn(Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c2cnn(C(C)(C)C)c(=O)c12

HCID69960056

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b8c8aa5ae8984358a57e528100f7c30f
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

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