HRID2137894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

HCID2763277

3-bromo-1h-indole

C8H6BrN

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2cc(Br)c3ccccc32)cc1

HCID11210274

3-BROMO-1-(P-TOLUENESULFONYL)INDOLE

C15H12BrNO2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8adfb6123d7b440e8603f25c99b0e15c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][nH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[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].[Na+:23].[OH-:22].[OH2:24].[S:11](=[O:12])(=[O:13])([c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[Cl:21].[S:31]([O-:32])([OH:33])(=[O:34])=[O:35].[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[Br:1][c:2]1[cH:3][n:4]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12