HRID95674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Borohydride

BH4-

HCID61778

Bisulfate anion

HO4S-

HCID86613961

未命名化合物

HCID136239838

未命名化合物

PRODUCTS

产物

HCID86613960

1-(4-bromobenzyl)-5-(4-oxo-2-thioxothiazolidin-5-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

C20H17BrN2O2S2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e6c6d868df804d4bb7740778e5562edb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[BH4-:36].[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:25])[CH2:9][CH2:10][c:11]3[c:12]([CH:17]=[C:18]4[C:19](=[O:24])[NH:20][C:21](=[S:23])[S:22]4)[cH:13][cH:14][cH:15][c:16]32)[cH:26][cH:27]1.[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:28][O:29][N:30]=[C:31]([CH3:32])[CH:33]=[N:34][OH:35].[CH3:55][OH:56].[K+:43].[Na+:37].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:54].[S:38]([O-:39])([OH:40])(=[O:41])=[O:42]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:25])[CH2:9][CH2:10][c:11]3[c:12]([CH2:17][CH:18]4[C:19](=[O:24])[NH:20][C:21](=[S:23])[S:22]4)[cH:13][cH:14][cH:15][c:16]32)[cH:26][cH:27]1