HRID95711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7398

Benzenesulfonyl chloride, 4-chloro-

C6H4Cl2O2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID67861

5-Fluoroindole

C8H6FN

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)cc1)n1ccc2cc(F)ccc21

HCID22220126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eb6cbcfaffb473495c1b7451ac8949e
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

[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[Cl:11][c:12]1[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[Cl:21])[cH:16][cH:17]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+:23].[OH-:22].[OH2:53].[S:31]([O-:32])([OH:33])(=[O:34])=[O:35]>>[F:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7]([S:18]([c:15]3[cH:14][cH:13][c:12]([Cl:11])[cH:17][cH:16]3)(=[O:19])=[O:20])[c:8]2[cH:9][cH:10]1