HRID951491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

3 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

HCID3826051

未命名化合物

HCID15586468

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1nc2sc(C)c(C)n2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1

HCID15586433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-826b6835db004fdbae2b0d40d5a91058
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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