Methanol → 3-[3-(4-Methyl-imidazol-1-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester

HRID 1125285

Reaction equation

HRID 1125285 reaction equation
[C:37]([CH3:38])(=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[cH:8][c:9]([C:10]([O:12][CH3:11])=[O:13])[cH:14][cH:15][cH:16]2)[cH:6]1.[CH3:29][O:30][CH:31]([O:32][CH3:33])[CH:34]([NH2:35])[CH3:36].[CH3:51][OH:52].[Li:45].[N:17]([c:18]1[cH:19][c:20]([C:24]([OH:25])=[O:26])[cH:21][cH:22][cH:23]1)=[C:27]=[S:28].[S:46](=[O:47])(=[O:48])([OH:49])[OH:50]>>[CH3:1][c:2]1[n:3][cH:4][n:5](-[c:7]2[cH:8][c:9]([C:10](=[O:12])[CH2:38][C:37](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:14][cH:15][cH:16]2)[cH:6]1

Participants

8

Reactant 7

HCID 887MethanolHCID 1118Sulfuric AcidHCID 10908tert-Butyl acetateHCID 75046Benzoic acid, 3-isothiocyanato-HCID 936582,2-Dimethoxy-1-methylethylamineHCID 3028194LithiumHCID 22224935Methyl 3-(4-methyl-1H-imidazol-1-YL)benzoate

Product 1

HCID 695927773-[3-(4-Methyl-imidazol-1-yl)-phenyl]-3-oxo-propionic acid tert.-butyl ester

Sources & evidence

ORD record
ord-bff76831bba042fcb3a8209aa4cbda3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

Loading…