HRID1573126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID92980

3-Piperidinecarboxamide

C6H12N2O

结构：COc1cccc(N(C)C)c1CN1CCC(Nc2nc(Cl)nc3ccccc23)CC1

HCID58006255

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(N(C)C)c1CN1CCC(Nc2nc(N3CCCC(C(N)=O)C3)nc3ccccc23)CC1

HCID58006197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8acbf6074b03476baf39cab2bd0956e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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