HRID1229467

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)N2CC(C)NC(C)C2)c(C=O)[nH]1

HCID22561751

未命名化合物

HCID22561874

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CC(C)NC(C)C2)c(C=C2C(=O)Nc3cccc(-c4ccccc4F)c32)[nH]1

HCID69742597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6296f29621d14174b4b29999f5863688
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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