HRID2154773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2

HCID40427565

tert-Butyl 4-oxo-3,4-dihydro-1'H-spiro[1-benzopyran-2,4'-piperidine]-1'-carboxylate

C18H23NO4

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(O)C1C(=O)c2ccccc2OC12CCN(C(=O)OC(C)(C)C)CC2

HCID58551124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-647deb8cf75b4b10abc14efcfce15485
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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