HRID97503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

2 次

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID498716

5-Methoxy-4-methyl-2-pyridinecarboxaldehyde

C8H9NO2

PRODUCTS

生成物

结构：COc1cnc2ccc(=O)n(CCN3CCC(NCc4cc(C)c(OC)cn4)CC3)c2c1

HCID57815378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6838872391d74c49a42a5533217ed402
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

[C:40]([BH3-:41])#[N:42].[C:44](=[O:45])([O-:46])[OH:47].[CH3:24][OH:25].[CH3:26][O-:27].[CH3:29][O:30][c:31]1[c:32]([CH3:39])[cH:33][c:34]([CH:37]=[O:38])[n:35][cH:36]1.[CH3:49][OH:50].[CH3:56][C:57](=[O:58])[OH:59].[CH:52]([Cl:53])([Cl:54])[Cl:55].[ClH:1].[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1.[Na+:28].[Na+:43].[Na+:48].[OH2:51]>>[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1)[CH2:37][c:34]1[cH:33][c:32]([CH3:39])[c:31]([O:30][CH3:29])[cH:36][n:35]1