Hydrochloric Acid → 2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[4-(1,1-dioxoisothiazolidin-2-yl)phenyl]valeramide

HRID 305157Notes

Reaction equation

HRID 305157 reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:22][c:23]1[n:24][c:25](-[c:28]2[cH:29][c:30]([O:31][CH:32]([C:33](=[O:34])[OH:35])[CH2:36][CH2:37][CH3:38])[cH:39][cH:40][cH:41]2)[n:26][o:27]1.[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[ClH:42].[NH2:8][c:9]1[cH:10][cH:11][c:12]([N:15]2[S:16](=[O:20])(=[O:21])[CH2:17][CH2:18][CH2:19]2)[cH:13][cH:14]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:54].[OH2:70].[OH:55][c:56]1[c:57]2[n:58][n:59][nH:60][c:61]2[cH:62][cH:63][cH:64]1>>[NH:8]([c:9]1[cH:10][cH:11][c:12]([N:15]2[S:16](=[O:20])(=[O:21])[CH2:17][CH2:18][CH2:19]2)[cH:13][cH:14]1)[C:33]([CH:32]([O:31][c:30]1[cH:29][c:28](-[c:25]2[n:24][c:23]([CH3:22])[o:27][n:26]2)[cH:41][cH:40][cH:39]1)[CH2:36][CH2:37][CH3:38])=[O:34]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962Water2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 111734372-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentanoic AcidHCID 118166852-(4-Aminophenyl)-1lambda6,2-thiazolidine-1,1-dioneHCID 178418300HCID 178418300, compound

Product 1

HCID 114088012-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-[4-(1,1-dioxoisothiazolidin-2-yl)phenyl]valeramide

Sources & evidence

ORD record
ord-f5a3426b28464d22aa2916d40e596272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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