HRID1230503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID9312

Isoxazole, 3,5-dimethyl-

C5H7NO

HCID20063999

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID55717

Disoxaril

C20H26N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ef8d1daafe142dabf748f2a969ccaca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[cH:29][cH:30][c:31]([C:34]2=[N:38][CH2:37][CH2:36][O:35]2)[cH:32][cH:33]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:13][c:14]1[n:15][o:16][c:17]([CH3:19])[cH:18]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:50]>>[CH3:13][c:14]1[n:15][o:16][c:17]([CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][O:27][c:28]2[cH:29][cH:30][c:31]([C:34]3=[N:38][CH2:37][CH2:36][O:35]3)[cH:32][cH:33]2)[cH:18]1