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

HRID 136518Notes

Reaction equation

HRID 136518 reaction equation
[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH3:2][O:3][NH:4][CH3:5].[CH3:48][C:49]#[N:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[ClH:1].[ClH:26].[F:6][c:7]1[cH:8][c:9]([CH:15]([C:16](=[O:17])[OH:18])[CH2:19][CH:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[cH:10][cH:11][c:12]1[S:13][CH3:14].[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:2][O:3][N:4]([CH3:5])[C:16]([CH:15]([c:9]1[cH:8][c:7]([F:6])[c:12]([S:13][CH3:14])[cH:11][cH:10]1)[CH2:19][CH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1)=[O:18]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 14232N,O-DimethylhydroxylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 210939502-[3-fluoro-4-(methylsulfanyl)phenyl]-3-(tetrahydro-2H-pyran-4-yl)propanoic acid

Product 1

HCID 593316112-[3-fluoro-4-(methylsulfanyl)phenyl]-N-methoxy-N-methyl-3-(tetrahydro-2H-pyran-4-yl)propanamide

Sources & evidence

ORD record
ord-151b7afa2b5e4ca484b88e597e292e1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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