HRID2155353

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID93146

1H-Pyrazol-3-amine, 5-methyl-

C4H7N3

结构：Fc1ccc(C(F)(F)c2nc(Cl)c3ccc(F)cc3n2)cc1

HCID72942929

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3cc(F)ccc23)n[nH]1

HCID46892623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8955f7b6b6249ec85cfda07d57e60bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:34][c:35]1[cH:36][c:37]([NH2:40])[n:38][nH:39]1.[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:1][c:2]1[n:3][c:4]([C:13]([c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)([F:21])[F:22])[n:5][c:6]2[cH:7][c:8]([F:12])[cH:9][cH:10][c:11]12.[I-:24].[K+:23].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[c:2]1([NH:40][c:37]2[cH:36][c:35]([CH3:34])[nH:39][n:38]2)[n:3][c:4]([C:13]([c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)([F:21])[F:22])[n:5][c:6]2[cH:7][c:8]([F:12])[cH:9][cH:10][c:11]12