HRID2320110

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

HCID86649068

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)c2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)ccc1F

HCID56848550

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51d2eed98c6649cea487e31e38430673
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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