HRID97886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID16028

Tetrabutylammonium

C16H36N+

HCID67082580

4-Cyclohexyl-3-methyl-1,3-butanediol

C11H22O2

HCID178527986

未命名化合物

PRODUCTS

生成物

HCID67082774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af95c664dd6341a0b3809bb2e21abfdd
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

[Br-:46].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:47][CH2:48][CH2:49][CH2:50][N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63].[CH:1]1([CH2:7][C:8]([CH2:9][CH2:10][OH:11])([OH:12])[CH3:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:15].[OH-:14].[S:16]([Cl:17])([c:18]1[cH:19][cH:20][c:21]([CH3:22])[cH:23][cH:24]1)(=[O:25])=[O:26].[c:27]1(-[n:33]2[n:34][n:35][n:36][c:37]2[SH:38])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH:1]1([CH2:7][C:8]([CH2:9][CH2:10][S:38][c:37]2[n:33](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[n:34][n:35][n:36]2)([OH:12])[CH3:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1