2-(4-Isopropoxyphenyl)-2-methoxyacetic acid → 1-(4-(4-Bromo-3,5-dimethoxyphenyl)oxazol-2-yl)-2-(4-isopropoxyphenyl)-2-methoxyethanone

HRID 160688Notes

Reaction equation

HRID 160688 reaction equation
[Br:36][c:37]1[c:38]([O:50][CH3:51])[cH:39][c:40](-[c:45]2[n:46][cH:47][o:48][cH:49]2)[cH:41][c:42]1[O:43][CH3:44].[CH:17]([CH3:18])([CH3:19])[O:20][c:21]1[cH:22][cH:23][c:24]([CH:27]([C:28](=[O:29])[N:30]([CH3:31])[O:32][CH3:33])[O:34][CH3:35])[cH:25][cH:26]1.[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:13])[OH:14])[O:15][CH3:16])[cH:9][cH:10]1>>[CH:17]([CH3:18])([CH3:19])[O:20][c:21]1[cH:22][cH:23][c:24]([CH:27]([C:28](=[O:29])[N:30]([CH3:31])[O:32][CH3:33])[O:34][CH3:35])[cH:25][cH:26]1.[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH:11]([C:12](=[O:14])[c:47]2[n:46][c:45](-[c:40]3[cH:39][c:38]([O:50][CH3:51])[c:37]([Br:36])[c:42]([O:43][CH3:44])[cH:41]3)[cH:49][o:48]2)[O:15][CH3:16])[cH:9][cH:10]1

Participants

5

Reactant 3

HCID 584320422-(4-Isopropoxyphenyl)-2-methoxyacetic acidHCID 584321254-(4-Bromo-3,5-dimethoxyphenyl)oxazoleHCID 866575012-(4-Isopropoxyphenyl)-N,2-dimethoxy-N-methylacetamide

Product 2

HCID 584320521-(4-(4-Bromo-3,5-dimethoxyphenyl)oxazol-2-yl)-2-(4-isopropoxyphenyl)-2-methoxyethanoneHCID 866575012-(4-Isopropoxyphenyl)-N,2-dimethoxy-N-methylacetamide

Sources & evidence

ORD record
ord-3203eb3eb4594b82b91cfd8cad8326de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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