HRID2347199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID15413

Methyl tert-butyl ether

C5H12O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CCCCCC1(CCCCC)Cc2c(cc(C(C)(C)C)c(OC(C)=O)c2C(C)(C)C)O1

HCID11102070

未命名化合物

PRODUCTS

生成物

结构：CCCCCC1(CCCCC)Cc2c(cc(C(C)(C)C)c(O)c2C(C)(C)C)O1

HCID9800472

2,3-Dihydro-5-hydroxy-2,2-dipentyl-4,6-di-tert-butylbenzofuran

C26H44O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eb6d3dca8334ba8a0dac7da59d5e9b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Al+3:2].[C:41]([O:42][CH3:43])([CH3:44])([CH3:45])[CH3:46].[C:7](=[O:8])([CH3:9])[O:10][c:11]1[c:12]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:13][c:14]2[c:15]([c:29]1[C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][C:17]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:18]2.[Cl-:38].[ClH:40].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[NH4+:39]>>[OH:10][c:11]1[c:12]([C:34]([CH3:35])([CH3:36])[CH3:37])[cH:13][c:14]2[c:15]([c:29]1[C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:16][C:17]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:18]2