Citric Acid → N-methoxy-N-methyl-2-[1-methyl-5-(methylsulfanyl)-1H-pyrazol-3-yl]-3-(tetrahydro-2H-pyran-4-yl)propanamide

HRID 2330249Notes

Reaction equation

HRID 2330249 reaction equation
[CH3:1][n:2]1[n:3][c:4]([CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:5][c:6]1[S:7][CH3:8].[CH3:21][O:22][NH:23][CH3:24].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[ClH:20].[ClH:35].[OH:47][C:48]([CH2:49][C:50]([C:51](=[O:52])[OH:53])([CH2:54][C:55](=[O:56])[OH:57])[OH:58])=[O:59].[n:25]1([OH:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1>>[CH3:1][n:2]1[n:3][c:4]([CH:9]([C:10](=[O:12])[N:23]([O:22][CH3:21])[CH3:24])[CH2:13][CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[cH:5][c:6]1[S:7][CH3:8]

Participants

9

Reactant 8

HCID 311Citric AcidHCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 583806222-[1-methyl-5-(methylsulfanyl)-1H-pyrazol-3-yl]-3-(tetrahydro-2H-pyran-4-yl)propanoic acid

Product 1

HCID 58380601N-methoxy-N-methyl-2-[1-methyl-5-(methylsulfanyl)-1H-pyrazol-3-yl]-3-(tetrahydro-2H-pyran-4-yl)propanamide

Sources & evidence

ORD record
ord-7de18c38c3ac47788c6c1fb5bfad6b0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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