Ethanol → 4-(2-tert-Butyl-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde

HRID 300496

Reaction equation

HRID 300496 reaction equation
[Ag+:31].[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:21])(=[O:22])[CH:7]([c:11]2[c:12]([F:20])[cH:13][c:14]([CH:17]([Br:18])[Br:19])[cH:15][cH:16]2)[CH2:8][C:9]1=[O:10].[CH3:23][CH2:24][OH:25].[N+:27]([O-:28])([O-:29])=[O:30].[OH2:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:21])(=[O:22])[CH:7]([c:11]2[c:12]([F:20])[cH:13][c:14]([CH:17]=[O:25])[cH:15][cH:16]2)[CH2:8][C:9]1=[O:10]

Participants

6

Reactant 5

HCID 702EthanolHCID 943NitrateHCID 962WaterHCID 104755Silver cationHCID 116339232-tert-Butyl-5-[4-(dibromomethyl)-2-fluorophenyl]isothiazolidin-3-one 1,1-dioxide

Product 1

HCID 116166194-(2-tert-Butyl-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde

Sources & evidence

ORD record
ord-44c4e5c2b51e49a5afc2dc4810234ba6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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