HRID663776

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID84399

3,3,5,5-Tetramethylcyclohexanone

C10H18O

HCID23142839

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC1(C)CC(C)(C)CC(O)(c2ccccc2N2CCN(CC3CC3)CC2)C1

HCID11303217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-265a79993e494e2ca083718780f0b947
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH:15]3[CH2:16][CH2:17]3)[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1.[CH2:18]([Li:19])[CH2:20][CH2:21][CH3:22].[CH3:23][C:24]1([CH3:33])[CH2:25][C:26](=[O:32])[CH2:27][C:28]([CH3:30])([CH3:31])[CH2:29]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:34]>>[c:2]1([C:26]2([OH:32])[CH2:25][C:24]([CH3:23])([CH3:33])[CH2:29][C:28]([CH3:30])([CH3:31])[CH2:27]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH:15]3[CH2:16][CH2:17]3)[CH2:12][CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1