HRID1232005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

结构：Cc1[nH]c(C=O)c(C)c1C(=O)N1CC(C)NC(C)C1

HCID22561722

未命名化合物

HCID22561901

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccc3c2C(=Cc2[nH]c(C)c(C(=O)N4CC(C)NC(C)C4)c2C)C(=O)N3)cc1

HCID69741956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8c5f5525f6c4f9892b32ba6ea5d4cd6
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

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