Sodium ion → tert-Butyl-2-(6-((2-(acetylamino)-1,3-benzothiazol-4-yl)oxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenylcarbamate

HRID 143197Notes

Reaction equation

HRID 143197 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([NH:23][c:24]1[c:25](-[c:34]2[n:35][cH:36][n:37][c:38]([Cl:40])[cH:39]2)[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)=[O:41].[H-:16].[Na+:15].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[n:8][c:9]([NH:11][C:12]([CH3:13])=[O:14])[s:10]2>>[O:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[n:8][c:9]([NH:11][C:12]([CH3:13])=[O:14])[s:10]2)[c:38]1[n:37][cH:36][n:35][c:34](-[c:25]2[c:24]([NH:23][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:41])[cH:29][c:28]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:26]2)[cH:39]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 540449Acetamide, N-(4-hydroxy-2-benzothiazolyl)-HCID 23577237Tert-butyl 2-(6-chloropyrimidin-4-yl)-5-(trifluoromethyl)phenylcarbamate

Product 1

HCID 11957782tert-Butyl-2-(6-((2-(acetylamino)-1,3-benzothiazol-4-yl)oxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenylcarbamate

Sources & evidence

ORD record
ord-cb7087a94c5c4f84a426fbcf072a21a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…