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

HRID 95674Notes

Reaction equation

HRID 95674 reaction equation
[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

Participants

11

Reactant 10

HCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 61778Sulfate, hydrogenHCID 866139611-(4-bromobenzyl)-5-(4-oxo-2-thioxothiazolidine-5-ylidenemethyl)-3,4-dihydro-1H-quinolin-2-oneHCID 136239838N-(2-methoxyiminopropylidene)hydroxylamine

Product 1

HCID 866139601-(4-bromobenzyl)-5-(4-oxo-2-thioxothiazolidin-5-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

Sources & evidence

ORD record
ord-e6c6d868df804d4bb7740778e5562edb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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