HRID295118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID24386

Thionyl chloride

Cl2OS

HCID166653

Hydride

H-

HCID14419501

2-Fluorooctanoic acid

C8H15FO2

HCID135585902

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCc1cnc(-c2ccc(OC(=O)C(F)CCCCCC)cc2)nc1

HCID14419502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b7b383b5de1479aa51e2a3b62a3e0de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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