HRID146111

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7301

2-Methyltetrahydrofuran

C5H10O

HCID8857

Ethyl Acetate

C4H8O2

HCID60795

Aripiprazole

C23H27Cl2N3O2

HCID62754

Carbonochloridic acid, chloromethyl ester

C2H2Cl2O2

HCID166653

Hydride

H-

PRODUCTS

产物

HCID66810238

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

C25H28Cl3N3O4

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-92085568366c42d988f672c506803fd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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