Acetic Acid → 3-[2-(4-Methyl-imidazol-1-yl)-thiazol-4-yl]-3-oxo-propionic acid tert.-butyl ester

HRID 2339236Notes

Reaction equation

HRID 2339236 reaction equation
[C:47]([CH3:48])(=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54].[C:56]([OH:57])(=[O:58])[CH3:59].[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[s:8][cH:9][c:10]([C:12]([O:14][CH2:13][CH3:15])=[O:16])[n:11]2)[cH:6]1.[CH3:60][CH2:61][OH:62].[H-:29].[Li:55].[N:30]([CH:31]([CH3:32])[CH:33]([O:34][CH3:35])[O:36][CH3:37])=[C:38]=[S:39].[NH2:17][c:18]1[s:19][cH:20][c:21]([C:22]([O:23][CH2:24][CH3:25])=[O:26])[n:27]1.[Na+:28].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[OH:45][OH:46].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[s:8][cH:9][c:10]([C:12](=[O:14])[CH2:48][C:47](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[n:11]2)[cH:6]1

Participants

13

Reactant 12

HCID 176Acetic AcidHCID 702EthanolHCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 10908tert-Butyl acetateHCID 73216Ethyl 2-aminothiazole-4-carboxylateHCID 166653HydrideHCID 3028194LithiumHCID 222247702-Isothiocyanato-1,1-dimethoxy-propaneHCID 22224920Ethyl 2-(4-methyl-imidazol-1-yl)-thiazole-4-carboxylate

Product 1

HCID 695928423-[2-(4-Methyl-imidazol-1-yl)-thiazol-4-yl]-3-oxo-propionic acid tert.-butyl ester

Sources & evidence

ORD record
ord-be5f651355324e2fa24a056cf55e9cfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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