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

HRID 172163Notes

Reaction equation

HRID 172163 reaction equation
[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:2][O:3][NH:4][CH3:5].[CH3:50][C:51]#[N:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl:6][c:7]1[cH:8][c:9]([CH:17]([C:18](=[O:19])[OH:20])[CH2:21][CH:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[cH:10][cH:11][c:12]1[S:13](=[O:14])(=[O:15])[CH3:16].[ClH:1].[ClH:28].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:2][O:3][N:4]([CH3:5])[C:18]([CH:17]([c:9]1[cH:8][c:7]([Cl:6])[c:12]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:10]1)[CH2:21][CH:22]1[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1)=[O:19]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 219590492-(3-Chloro-4-methanesulfonyl-phenyl)-3-(tetrahydro-pyran-4-yl)-propionic acid

Product 1

HCID 593313932-[3-chloro-4-(methylsulfonyl)phenyl]-N-methoxy-N-methyl-3-(tetrahydro-2H-pyran-4-yl)propanamide

Sources & evidence

ORD record
ord-0911849244514f77a07b85fe62811f00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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