HRID117763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：COc1cccc(CCN2CCC(Cc3cc(OC)ccc3Br)CC2)c1

HCID22675297

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1cccc(CCN2CCC(Cc3cc(OC)ccc3C(C)O)CC2)c1

HCID22675304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be7015cb78844f6f8186f154bfa1b472
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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