Chloride → Methyl 3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]-2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbothioyl]amino]propanoate

HRID 314290Notes

Reaction equation

HRID 314290 reaction equation
[CH3:19][O:20][C:21]([CH:22]([NH:23][C:24](=[S:25])[C:26]1([CH2:31][CH2:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38])[CH2:27][CH2:28][CH2:29][CH2:30]1)[CH2:39][c:40]1[cH:41][cH:42][c:43]([NH2:46])[cH:44][cH:45]1)=[O:47].[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH3:11])[c:7]1[C:8](=[O:9])[OH:10].[Cl-:18].[Cl:12][C:13]([C:14]([Cl:15])=[O:16])=[O:17].[Cl:48][CH2:49][Cl:50].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:51]>>[CH3:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH3:11])[c:7]1[C:8](=[O:10])[NH:46][c:43]1[cH:42][cH:41][c:40]([CH2:39][CH:22]([C:21]([O:20][CH3:19])=[O:47])[NH:23][C:24](=[S:25])[C:26]2([CH2:31][CH2:32][CH2:33][CH2:34][S:35](=[O:36])(=[O:37])[CH3:38])[CH2:27][CH2:28][CH2:29][CH2:30]2)[cH:45][cH:44]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 15125612,4-Dimethyl-3-pyridinecarboxylic acidHCID 18405988Methyl 3-(4-aminophenyl)-2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbothioyl]amino]propanoate

Product 1

HCID 18406022Methyl 3-[4-[(2,4-dimethylpyridine-3-carbonyl)amino]phenyl]-2-[[1-(4-methylsulfonylbutyl)cyclopentanecarbothioyl]amino]propanoate

Sources & evidence

ORD record
ord-00ece8fec3604cf993a035dfe962fe7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…