HRID105741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID24648

Sulfuryl chloride

Cl2O2S

HCID61778

Bisulfate anion

HO4S-

HCID67861

5-Fluoroindole

C8H6FN

PRODUCTS

生成物

HCID11288858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-126c9358e9d6459f80b1a04568cc82dc
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

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