HRID1551206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID2724440

4-(4-Fluorobenzoyl)piperidine

C12H14FNO

HCID14580041

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(F)cc1)C1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1

HCID14580043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89b70ec3abc4460184f68731d2bd8a6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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