HRID2336454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID22470626

未命名化合物

HCID59398137

未命名化合物

PRODUCTS

产物

HCID59398133

ethyl 1-(2-((3-fluorophenyl)thio)ethyl)-4-(3-(7-methoxy-2-oxoquinolin-1(2H)-yl)propyl)piperidine-4-carboxylate

C29H35FN2O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-166cbf99f5294eeea3ec9fc499d0f389
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:33](=[O:34])([O-:35])[O-:36].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][c:14](=[O:32])[n:15]([CH2:18][CH2:19][CH2:20][C:21]3([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[c:16]2[cH:17]1.[F:39][c:40]1[cH:41][c:42]([S:46][CH2:47][CH2:48][Br:49])[cH:43][cH:44][cH:45]1.[K+:37].[K+:38].[OH2:50]>>[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11]2[cH:12][cH:13][c:14](=[O:32])[n:15]([CH2:18][CH2:19][CH2:20][C:21]3([C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:22][CH2:23][N:24]([CH2:48][CH2:47][S:46][c:42]4[cH:41][c:40]([F:39])[cH:45][cH:44][cH:43]4)[CH2:25][CH2:26]3)[c:16]2[cH:17]1