HRID1572143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID2724942

未命名化合物

HCID4914628

1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

C11H9NO2

HCID58415926

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C2(CNCc3cc4ccccc4n(C)c3=O)CCC=COC2)CC1

HCID58415951

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-855d05dcd9a34033a1d5987f016c4188
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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