3-Methylthiopropionate → 4-tert-butyl-N-{4-chloro-5-fluoro-2-[N'-(3-methylsulfanyl-propionyl)-hydrazinocarbonyl]-phenyl}-benzenesulfonamide

HRID 156478Notes

Reaction equation

HRID 156478 reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][cH:20][c:21]([S:24](=[O:25])(=[O:26])[NH:27][c:28]2[c:29]([C:36](=[O:37])[NH:38][NH2:39])[cH:30][c:31]([Cl:35])[c:32]([F:34])[cH:33]2)[cH:22][cH:23]1.[CH3:1][S:2][CH2:3][CH2:4][C:5](=[O:6])[OH:7].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:47][CH2:48][Cl:49].[Cl:8][C:9]([C:10]([Cl:11])=[O:12])=[O:13].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH3:1][S:2][CH2:3][CH2:4][C:5](=[O:7])[NH:39][NH:38][C:36]([c:29]1[c:28]([NH:27][S:24]([c:21]2[cH:20][cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:23][cH:22]2)(=[O:25])=[O:26])[cH:33][c:32]([F:34])[c:31]([Cl:35])[cH:30]1)=[O:37]

Participants

7

Reactant 6

HCID 5633-MethylthiopropionateHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 593029664-tert-butyl-N-(4-chloro-5-fluoro-2-hydrazinocarbonyl-phenyl)-benzenesulfonamide

Product 1

HCID 593030414-tert-butyl-N-{4-chloro-5-fluoro-2-[N'-(3-methylsulfanyl-propionyl)-hydrazinocarbonyl]-phenyl}-benzenesulfonamide

Sources & evidence

ORD record
ord-70526f1fdf264039a46c01c65b81b3df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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