HRID2328252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID264

Butanoic acid

C4H8O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1C(=O)OCCl

HCID66810238

chloromethyl 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-2-oxo-3,4-dihydroquinoline-1(2H)-carboxylate

C25H28Cl3N3O4

PRODUCTS

生成物

结构：CCCC(=O)OCOC(=O)N1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21

HCID56597052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-205aea97943942489a0aba5df5e7bc75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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