HRID107630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(Oc1cc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

HCID58659146

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

HCID11597571

3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine

C21H22Cl2FN5O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfe16289a0a84f3d8342f8cb0b27e932
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

[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:37])[c:23]([O:25][CH:26]([CH3:27])[c:28]4[c:29]([Cl:36])[c:30]([F:35])[cH:31][cH:32][c:33]4[Cl:34])[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:45][CH2:46][Cl:47].[ClH:38].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[NH:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:37])[c:23]([O:25][CH:26]([CH3:27])[c:28]4[c:29]([Cl:36])[c:30]([F:35])[cH:31][cH:32][c:33]4[Cl:34])[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1