HRID204053

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID28179

Fluoride

F-

HCID81531

Diisopropylethylamine

C8H19N

HCID12910381

N,2,2-Trimethylpropan-1-amine

C6H15N

结构：CONC(=O)c1ccc(C)c(Nc2nc(Cl)c(C#N)cc2F)c1

HCID86588800

未命名化合物

PRODUCTS

生成物

结构：CONC(=O)c1ccc(C)c(Nc2nc(N(C)CC(C)(C)C)c(C#N)cc2F)c1

HCID10179043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d483244f4c6c4be782b558edb71c141f
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

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