HRID152461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21574

3,5,5-Trimethylhexanal

C9H18O

HCID23978

Copper

HCID142800

1-Bromo-3,5,5-trimethylhexane

C9H19Br

结构：CC(CCC(CC(C)CC(C)(C)C)OC(=O)n1cncn1)CC(C)(C)C

HCID53936592

未命名化合物

PRODUCTS

生成物

HCID19788760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cc7531af99045f28f1da3aec59b2cef
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:1][CH2:2][CH2:3][CH:4]([CH3:5])[CH2:6][C:7]([CH3:8])([CH3:9])[CH3:10].[CH3:11][CH:12]([CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18][CH:19]=[O:20].[CH3:21][C:22]([CH3:23])([CH2:24][CH:25]([CH2:26][CH:27]([CH2:28][CH2:29][CH:30]([CH2:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH3:36])[O:37][C:38]([n:39]1[cH:40][n:41][cH:42][n:43]1)=[O:44])[CH3:45])[CH3:46].[Cu:47]>>[CH3:21][C:22]([CH3:23])([CH2:24][CH:25]([CH2:26][CH:27]([CH2:28][CH2:29][CH:30]([CH2:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH3:36])[OH:37])[CH3:45])[CH3:46]