Hydrochloric Acid → 2-[4-(cyclopropylsulfonyl)phenyl]-N-methoxy-N-methyl-3-(tetrahydro-2H-pyran-4-yl)propanamide

HRID 2345752Notes

Reaction equation

HRID 2345752 reaction equation
[CH3:2][O:3][NH:4][CH3:5].[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH:6]1([S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:16][cH:17]2)[CH2:7][CH2:8]1.[ClH:1].[ClH:29].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:2][O:3][N:4]([CH3:5])[C:19]([CH:18]([c:15]1[cH:14][cH:13][c:12]([S:9]([CH:6]2[CH2:7][CH2:8]2)(=[O:10])=[O:11])[cH:17][cH:16]1)[CH2:22][CH:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:20]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 103150842-(4-(Cyclopropylsulfonyl)phenyl)-3-(tetrahydro-2H-pyran-4-YL)propanoic acid

Product 1

HCID 593315972-[4-(cyclopropylsulfonyl)phenyl]-N-methoxy-N-methyl-3-(tetrahydro-2H-pyran-4-yl)propanamide

Sources & evidence

ORD record
ord-f4a2253d69d94d5aa661dc04f6dc93d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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