HRID2158689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31275

1,4-Dioxane

C4H8O2

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID59318035

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2ccc(C(=O)Nc3ccc(I)c(Cl)c3)cn2)CC1

HCID59318105

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-800473981ff341eab2a0c939b7e59886
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

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