HRID679566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

2 次

HCID7677

1-Piperazineethanol

C6H14N2O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID604753

6-Methoxy-4-methyl-8-quinolinamine

C11H12N2O

HCID611994

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NC(=O)CN2CCN(CCO)CC2)c2nccc(C)c2c1

HCID12499562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4718d3c69f234675a9525455b52f1960
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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