HRID1133537

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

HCID138901

未命名化合物

HCID872417

Methanone, (2,6-dimethoxyphenyl)phenyl-

C15H14O3

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1cccc(OC)c1C(O)(CC=NC(C)(C)C)c1ccccc1

HCID20097372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b42d663f2d584fa9bc65cf0dfd6722ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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].[CH3:26][O:27][c:28]1[c:29]([C:30](=[O:31])[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]([O:42][CH3:43])[cH:39][cH:40][cH:41]1.[CH:19]([CH3:20])=[N:21][C:22]([CH3:23])([CH3:24])[CH3:25].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[OH2:44]>>[CH:19]([CH2:20][C:30]([c:29]1[c:28]([O:27][CH3:26])[cH:41][cH:40][cH:39][c:38]1[O:42][CH3:43])([OH:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[N:21][C:22]([CH3:23])([CH3:24])[CH3:25]