HRID2338958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

结构：Cc1cc(C(=O)N2CCC(N(C)C)C2)c(C=O)[nH]1

HCID22561709

未命名化合物

HCID22561756

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCC(N(C)C)C2)c(C=C2C(=O)Nc3cccc(-c4cccc(F)c4)c32)[nH]1

HCID69741101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23392dd711424599976c1a06319b429c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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