HRID138008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID2736707

Isoxazole-5-carbonyl chloride

C4H2ClNO2

HCID86637283

tert-butyl 4-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-4-(cyanomethyl)piperidine-1-carboxylate

C19H23ClN6O2

PRODUCTS

产物

HCID86637284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f5cc83ad4d9a4388bf459917396eee65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[CH2:51]([Cl:52])[Cl:53].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([C:13]3([CH2:26][C:27]#[N:28])[CH2:14][CH2:15][N:16]([C:19]([O:21][C:20]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:17][CH2:18]3)[cH:12]2)[n:7]1.[ClH:29].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[o:37]1[n:38][cH:39][cH:40][c:41]1[C:42]([Cl:43])=[O:44]>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][n:11]([C:13]3([CH2:26][C:27]#[N:28])[CH2:14][CH2:15][N:16]([C:19](=[O:21])[c:41]4[o:37][n:38][cH:39][cH:40]4)[CH2:17][CH2:18]3)[cH:12]2)[n:7]1