HRID2338094

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

HCID10254

2,4,6-Trimethylbenzaldehyde

C10H12O

HCID59202091

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(CC)c1cccc2nc(C(O)c3c(C)cc(C)cc3C)n(C)c12

HCID59202084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec2dd53074e344119c8ac319e9ac4984
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

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