HRID1569072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7757

Methyl acetoacetate

C5H8O3

HCID16028

Tetrabutylammonium

C16H36N+

HCID3587356

未命名化合物

HCID14503452

3-[(2-Methylphenyl)sulfanyl]propanal

C10H12OS

PRODUCTS

产物

HCID14883919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7abc9e534dc04f84bf21bda17df3d8c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br-:33].[C:12]([O-:13])(=[O:14])[CH2:15][CH:16]([CH3:17])[CH3:18].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:20][c:21]1[c:22]([S:27][CH2:28][CH2:29][CH:30]=[O:31])[cH:23][cH:24][cH:25][cH:26]1.[CH3:34][CH2:35][CH2:36][CH2:37][N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[ClH:11].[Na+:10].[Na+:19].[OH-:9].[OH2:32]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:30]([CH2:29][CH2:28][S:27][c:22]1[c:21]([CH3:20])[cH:26][cH:25][cH:24][cH:23]1)[OH:31]