HRID1124613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6422

未命名化合物

HCID33721

4-Piperidone

C5H9NO

结构：Fc1ccc(-n2cc(C3=CCNCC3)c3cc(Cl)ccc32)cc1

HCID9883838

5-Chloro-1-(4-fluorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

C19H16ClFN2

HCID10236188

5-Chloro-1-(4-fluorophenyl)-1H-indole

C14H9ClFN

PRODUCTS

生成物

HCID9862272

5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole

C19H18ClFN2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8600ca25d46648779fb36e45843f5bf3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:55][C:56](=[O:57])[OH:58].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[n:8](-[c:9]1[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]1)[cH:16][cH:17]2.[Cl:25][c:26]1[cH:27][c:28]2[c:29]([C:42]3=[CH:47][CH2:46][NH:45][CH2:44][CH2:43]3)[cH:30][n:31](-[c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[c:32]2[cH:33][cH:34]1.[NH:18]1[CH2:19][CH2:20][C:21](=[O:22])[CH2:23][CH2:24]1.[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[Cl:25][c:26]1[cH:27][c:28]2[c:29]([CH:42]3[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]3)[cH:30][n:31](-[c:35]3[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]3)[c:32]2[cH:33][cH:34]1