HRID163973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID10433

Cyclohexane-1,3-diol

C6H12O2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID519028

Methyl 2,6-dimethylbenzoate

C10H12O2

HCID4574913

未命名化合物

HCID10263795

未命名化合物

PRODUCTS

生成物

HCID21980299

Methyl 2-(3-hydroxycyclohexyloxymethyl)-6-methylbenzoate

C16H22O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fd70e8d8d09466ea12503b7a5c2687b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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