HRID1117862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8058

n-Hexane

C6H14

HCID3028194

Lithium

结构：CCCCCCC(C)(C)c1ccc(C2CC=CC(=O)C2)c(OCc2ccccc2)c1

HCID12788293

未命名化合物

HCID178477770

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(C)(C)c1ccc(C2CC(=O)CC(C)C2)c(OCc2ccccc2)c1

HCID20496846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-553071402fbd4ae59aa836e5047ecf50
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

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