HRID108895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7918

Acetic anhydride

C4H6O3

HCID7962

Methylcyclohexane

C7H14

HCID15413

Methyl tert-butyl ether

C5H12O

结构：CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID79064

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(Br)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID102932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e722b8e0807b42bab15f805ef6b68f92
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

[BrH:35].[C:1]([O:2][CH:5]1[CH:6]([O:7][C:8]([CH3:9])=[O:10])[CH:11]([O:12][C:13]([CH3:14])=[O:15])[CH:16]([O:17][C:18]([CH3:19])=[O:20])[CH:21]([CH2:23][O:24][C:25]([CH3:26])=[O:27])[O:22]1)(=[O:3])[CH3:4].[CH3:28][C:29]([O:30][C:31](=[O:32])[CH3:33])=[O:34].[CH3:36][CH:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][C:51](=[O:52])[OH:53].[CH3:54][O:55][C:56]([CH3:57])([CH3:58])[CH3:59].[OH2:60]>>[CH:5]1([Br:35])[CH:6]([O:7][C:8]([CH3:9])=[O:10])[CH:11]([O:12][C:13]([CH3:14])=[O:15])[CH:16]([O:17][C:18]([CH3:19])=[O:20])[CH:21]([CH2:23][O:24][C:25]([CH3:26])=[O:27])[O:22]1