Potassium Cation → 3-{2-[5-(4-Fluoro-phenyl)-3-(2,4,6-trifluoro-benzoyl)-2,3-dihydro-[1,3,4]thiadiazol-2-yl]-phenoxymethyl}-benzamide

HRID 102075Notes

Reaction equation

HRID 102075 reaction equation
[Br:37][CH2:38][c:39]1[cH:40][c:41]([C:42](=[O:43])[NH2:44])[cH:45][cH:46][cH:47]1.[CH3:48][C:49]#[N:50].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:20](=[O:21])[c:22]3[c:23]([F:30])[cH:24][c:25]([F:29])[cH:26][c:27]3[F:28])[CH:11]([c:13]3[c:14]([OH:19])[cH:15][cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1.[K+:31].[K+:32].[O-:33][C:34]([O-:35])=[O:36]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:20](=[O:21])[c:22]3[c:23]([F:30])[cH:24][c:25]([F:29])[cH:26][c:27]3[F:28])[CH:11]([c:13]3[c:14]([O:19][CH2:38][c:39]4[cH:40][c:41]([C:42](=[O:43])[NH2:44])[cH:45][cH:46][cH:47]4)[cH:15][cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 5840703-(Bromomethyl)benzamideHCID 67279311[5-(4-Fluoro-phenyl)-2-(2-hydroxy-phenyl)-[1,3,4]thiadiazol-3-yl]-(2,4,6-trifluoro-phenyl)-methanone

Product 1

HCID 580257043-{2-[5-(4-Fluoro-phenyl)-3-(2,4,6-trifluoro-benzoyl)-2,3-dihydro-[1,3,4]thiadiazol-2-yl]-phenoxymethyl}-benzamide

Sources & evidence

ORD record
ord-4de6dbcd58614f40af8eb117474590f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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