Acetone → 4-(2-tert-Butyl-5-methyl-oxazol-4-ylmethoxy)-benzo[b]thiophene-7-carbaldehyde

HRID 1117349Notes

Reaction equation

HRID 1117349 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7]([CH3:12])[c:8]([CH2:10][Cl:11])[n:9]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][C:32](=[O:33])[CH3:34].[Cs+:29].[Cs+:30].[OH:13][c:14]1[cH:15][cH:16][c:17]([CH:23]=[O:24])[c:18]2[s:19][cH:20][cH:21][c:22]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[o:6][c:7]([CH3:12])[c:8]([CH2:10][O:13][c:14]2[cH:15][cH:16][c:17]([CH:23]=[O:24])[c:18]3[s:19][cH:20][cH:21][c:22]23)[n:9]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 111829574-Hydroxy-benzo[b]thiophene-7-carboxaldehydeHCID 219495892-Tert-butyl-4-chloromethyl-5-methyl-oxazole

Product 1

HCID 219496234-(2-tert-Butyl-5-methyl-oxazol-4-ylmethoxy)-benzo[b]thiophene-7-carbaldehyde

Sources & evidence

ORD record
ord-cf716124afc84b81adac70a268bc9445
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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