HRID119480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

HCID13763352

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CS(=O)(=O)Nc1ccc(C(=O)CCN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1

HCID15816994

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-894709c545c541b7a5546bb19d0128c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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