HRID112688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：Cc1cc(-c2ccc(Cl)cc2)c(Br)c2n[nH]c(=O)n12

HCID57799403

未命名化合物

HCID59834815

3-(Chloromethyl)-2-methyl-6-(trifluoromethyl)pyridine

C8H7ClF3N

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc2c(Br)c(-c3ccc(Cl)cc3)cc(C)n2c1=O

HCID57799446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea36c661aaef4a8e9c8aa650561634c7
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[c:3]2[n:4]([c:5]([CH3:15])[cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:16](=[O:19])[nH:17][n:18]2.[C:33](=[O:34])([O-:35])[O-:36].[Cl:20][CH2:21][c:22]1[c:23]([CH3:32])[n:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]1.[K+:37].[K+:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[Br:1][c:2]1[c:3]2[n:4]([c:5]([CH3:15])[cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:16](=[O:19])[n:17]([CH2:21][c:22]1[c:23]([CH3:32])[n:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]1)[n:18]2