HRID805469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

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+

HCID14347982

未命名化合物

PRODUCTS

生成物

HCID14534472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89ec8ded5be84ccbbda23c6830eecb70
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br-:33].[C:1]([CH2:2][C:3](=[O:4])[CH3:5])([O:6][CH3:7])=[O:8].[CH3:13][C:14](=[O:15])[O-:16].[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].[F:17][C:18]([c:19]1[cH:20][cH:21][c:22]([S:25][CH2:26][CH2:27][CH:28]=[O:29])[cH:23][cH:24]1)([F:30])[F:31].[Na+:10].[Na+:12].[OH-:9].[OH2:32]>>[CH2:2]([C:3](=[O:4])[CH3:5])[CH:28]([CH2:27][CH2:26][S:25][c:22]1[cH:21][cH:20][c:19]([C:18]([F:17])([F:30])[F:31])[cH:24][cH:23]1)[OH:29]