HRID286843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID8071

未命名化合物

HCID10795

1,1-Dimethoxyethane

C4H10O2

结构：CC(C)(C)c1ccc(C(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID2758048

Bis(4-tert-butylphenyl)methanone

C21H26O

HCID15346303

3-tert-Butyl-1-methylcyclopenta-1,3-diene

C10H16

PRODUCTS

生成物

结构：CC1=CC(C(C)(C)C)=CC1=C(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

HCID23107188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ed3564ab675436aa57c7aed015cde0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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