HRID92847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID5964

Benzyltrimethylammonium

C10H16N+

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID13442934

3-(Benzenesulfinyl)-1H-indole

C14H11NOS

PRODUCTS

生成物

结构：O=S(c1ccccc1)c1cn(Cc2ccccc2)c2ccccc12

HCID13442935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ae0a75f09dc446da412c6f68aa5b812
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

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