Water → 2-(4-Cyclopropanesulfonyl-phenyl)-2-(2,4-difluoro-phenoxy)-N-(5-methoxy-thiazol-2-yl)-acetamide

HRID 1560977Notes

Reaction equation

HRID 1560977 reaction equation
[CH3:26][O:27][c:28]1[cH:29][n:30][c:31]([NH2:33])[s:32]1.[CH3:44][CH2:45][N:46]=[C:47]=[N:48][CH2:49][CH2:50][CH2:51][N:52]([CH3:53])[CH3:54].[CH3:55][N:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14](=[O:15])[OH:16])[O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1.[Cl:68][CH2:69][Cl:70].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[CH:1]1([S:4](=[O:5])(=[O:6])[c:7]2[cH:8][cH:9][c:10]([CH:13]([C:14](=[O:15])[NH:33][c:31]3[n:30][cH:29][c:28]([O:27][CH3:26])[s:32]3)[O:17][c:18]3[c:19]([F:25])[cH:20][c:21]([F:24])[cH:22][cH:23]3)[cH:11][cH:12]2)[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 203162835-Methoxy-1,3-thiazol-2-amineHCID 596100322-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetic acid

Product 1

HCID 596100652-(4-Cyclopropanesulfonyl-phenyl)-2-(2,4-difluoro-phenoxy)-N-(5-methoxy-thiazol-2-yl)-acetamide

Sources & evidence

ORD record
ord-80d3706b8b404d699763bbd6734c15d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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