HRID2146830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID527

Propanal

C3H6O

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID13035

Piperidine, 2,2,6,6-tetramethyl-

C9H19N

HCID74403

3-Chloro-6-methoxypyridazine

C5H5ClN2O

HCID23092470

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

HCID10262280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84ce625648e44aa0b716b9c7a3514674
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

[C:30](=[O:31])([OH:32])[O-:33].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[CH3:59][CH2:60][OH:61].[CH3:6][C:7]1([CH3:8])[CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[NH:15]1.[CH:25]([CH2:26][CH3:27])=[O:28].[Cl:16][c:17]1[n:18][n:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1.[Cl:35][c:36]1[n:37][n:38][c:39]([O:40][CH3:41])[cH:42][c:43]1[CH:44]([OH:45])[CH2:46][CH3:47].[ClH:29].[Na+:34].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[Cl:16][c:17]1[n:18][n:19][c:20]([O:23][CH3:24])[c:21]([CH:25]([CH2:26][CH3:27])[OH:28])[cH:22]1