HRID1219377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8082

Piperidine

C5H11N

HCID20761769

未命名化合物

HCID22561905

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCNC(=O)c1cc(C)[nH]c1C=C1C(=O)Nc2cccc(-c3cccc(C(F)(F)F)c3)c21

HCID72637686

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9982e2f461440c8a43cfcdc26771050
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

[CH2:21]([CH3:22])[N:23]([CH2:24][CH2:25][NH:26][C:27](=[O:28])[c:29]1[c:30]([CH:35]=[O:36])[nH:31][c:32]([CH3:34])[cH:33]1)[CH2:37][CH3:38].[CH2:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][OH:47].[F:1][C:2]([c:3]1[cH:4][c:5](-[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:6][cH:7][cH:8]1)([F:19])[F:20]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[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:30]2[c:29]([C:27]([NH:26][CH2:25][CH2:24][N:23]([CH2:21][CH3:22])[CH2:37][CH3:38])=[O:28])[cH:33][c:32]([CH3:34])[nH:31]2)[cH:6][cH:7][cH:8]1)([F:19])[F:20]