Water → N-{4-[2-(4-fluoro-phenylamino)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-phenyl}-acetamide

HRID 1542779Notes

Reaction equation

HRID 1542779 reaction equation
[C:18]([CH3:19])(=[O:20])[NH:21][c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[C:31](=[O:32])([O-:33])[O-:34].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[CH2:47]([O:48][CH2:49][CH3:50])[CH3:51].[Cl:44][CH2:45][Cl:46].[Cs+:35].[Cs+:36].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][n:11]3[c:12]([s:13]2)[n:14][cH:15][c:16]3[I:17])[cH:6][cH:7]1.[OH2:37]>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[n:10][n:11]3[c:12]([s:13]2)[n:14][cH:15][c:16]3-[c:25]2[cH:24][cH:23][c:22]([NH:21][C:18]([CH3:19])=[O:20])[cH:27][cH:26]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 962WaterHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 27346574-Acetamidophenylboronic acidHCID 67334575(4-Fluoro-phenyl)-(5-iodo-imidazo[2,1-b][1,3,4]thiadiazol-2-yl)-amine

Product 1

HCID 67336560N-{4-[2-(4-fluoro-phenylamino)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-phenyl}-acetamide

Sources & evidence

ORD record
ord-608ab08b1d094af793399fc2ca816f99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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