Chloride → 2-(2-fluoro-4-methanesulfonyl-phenylsulfanyl)-N-[3-(2-methoxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-2-methyl-propionamide

HRID 2310143Notes

Reaction equation

HRID 2310143 reaction equation
[CH3:26][O:27][CH2:28][C:29]([CH3:30])([CH3:31])[c:32]1[n:33][o:34][c:35]([NH2:37])[cH:36]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl-:19].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:47][CH2:48][Cl:49].[F:1][c:2]1[c:3]([S:12][C:13]([C:14](=[O:15])[OH:16])([CH3:17])[CH3:18])[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:7]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67]>>[F:1][c:2]1[c:3]([S:12][C:13]([C:14](=[O:16])[NH:37][c:35]2[o:34][n:33][c:32]([C:29]([CH2:28][O:27][CH3:26])([CH3:30])[CH3:31])[cH:36]2)([CH3:17])[CH3:18])[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:7]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 1140TolueneHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 534418093-(1-Methoxy-2-methylpropan-2-YL)isoxazol-5-amineHCID 592679272-(2-Fluoro-4-methanesulfonyl-phenylsulfanyl)-2-methyl-propionic acid

Product 1

HCID 592678902-(2-fluoro-4-methanesulfonyl-phenylsulfanyl)-N-[3-(2-methoxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-2-methyl-propionamide

Sources & evidence

ORD record
ord-59b40a8c950244209b40f652743f3753
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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