2-Aminothiazole → 2-(4-Cyclopropanesulfonylphenyl)-2-(2,4-difluoro-phenoxy)-N-thiazol-2-yl-acetamide

HRID 304345Notes

Reaction equation

HRID 304345 reaction equation
[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.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[Cl:65][CH2:66][Cl:67].[NH2:59][c:60]1[s:61][cH:62][cH:63][n:64]1.[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]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:59][c:60]3[s:61][cH:62][cH:63][n:64]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

7

Reactant 6

HCID 21552-AminothiazoleHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 596100322-(4-Cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetic acid

Product 1

HCID 252619862-(4-Cyclopropanesulfonylphenyl)-2-(2,4-difluoro-phenoxy)-N-thiazol-2-yl-acetamide

Sources & evidence

ORD record
ord-e3d75226a26a4b3fb3981b62f6d0b2b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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