HRID91571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

结构：CCCN(CCC)CCCCN(C)Cc1ccc(CNCc2ncc[nH]2)cc1

HCID11696698

未命名化合物

HCID11744777

6,7-dihydro-5H-quinolin-8-one

C9H9NO

PRODUCTS

生成物

结构：CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)C2CCCc3cccnc32)cc1

HCID58345803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd9719cccc3840a4b20d9045d5e9dc88
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].[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][OH:49].[Na+:43].[n:29]1[cH:30][cH:31][cH:32][c:33]2[c:38]1[C:37](=[O:39])[CH2:36][CH2:35][CH2:34]2.[nH:1]1[c:2]([CH2:6][NH:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[CH3:26])[cH:27][cH:28]2)[n:3][cH:4][cH:5]1>>[nH:1]1[c:2]([CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][N:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]([CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH3:25])[CH3:26])[cH:27][cH:28]2)[CH:37]2[CH2:36][CH2:35][CH2:34][c:33]3[cH:32][cH:31][cH:30][n:29][c:38]32)[n:3][cH:4][cH:5]1