HRID301364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID7977

2-Chloropyridine

C5H4ClN

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID11569

3-Methoxybenzaldehyde

C8H8O2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID20145733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9e2a6bd1784548fbb1fe0c192011e171
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH:13]([N-:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[CH:28]([c:29]1[cH:30][c:31]([O:35][CH3:36])[cH:32][cH:33][cH:34]1)=[O:37].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl-:38].[Cl:21][c:22]1[n:23][cH:24][cH:25][cH:26][cH:27]1.[Li+:20].[NH4+:39].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51]>>[Cl:21][c:22]1[n:23][cH:24][cH:25][cH:26][c:27]1[CH:28]([c:29]1[cH:30][c:31]([O:35][CH3:36])[cH:32][cH:33][cH:34]1)[OH:37]