HRID1234050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7503

Benzyl chloride

C7H7Cl

HCID8471

Triethylamine

C6H15N

结构：CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCNCC3)cc21

HCID3051695

3-Quinolinecarboxylic acid, 1,4-dihydro-6-chloro-1-ethyl-4-oxo-7-(1-piperazinyl)-

C16H18ClN3O3

PRODUCTS

生成物

结构：CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(N3CCN(Cc4ccccc4)CC3)cc21

HCID12944896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b35be6821cd04382be024ad41fc56a66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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