HRID1113030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID8900

Heptane

C7H16

HCID4574913

未命名化合物

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-e68381bc28e04f3483287e0c79e07518
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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