Acetate → 3-(2,5,5-Trimethyl-1,3-dioxan-2-yl)thiophene-2-sulfonamide

HRID 699984Notes

Reaction equation

HRID 699984 reaction equation
[C:26]([O-:27])(=[O:28])[CH3:29].[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][C:2]1([c:10]2[cH:11][s:12][cH:13][cH:14]2)[O:3][CH2:4][C:5]([CH3:8])([CH3:9])[CH2:6][O:7]1.[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[NH2:31][O:32][S:33]([OH:34])(=[O:35])=[O:36].[Na+:30].[O:20]=[S:21]=[O:22].[OH2:23].[OH2:24].[OH2:25].[OH2:43]>>[CH3:1][C:2]1([c:10]2[c:11]([S:21](=[O:20])(=[O:22])[NH2:31])[s:12][cH:13][cH:14]2)[O:3][CH2:4][C:5]([CH3:8])([CH3:9])[CH2:6][O:7]1

Participants

10

Reactant 9

HCID 175AcetateHCID 923Sodium ionHCID 962Water4×HCID 1119Sulfur DioxideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 76284hydroxylamine-O-sulfonic acidHCID 22902024HCID 22902024, compoundHCID 178418339Butyllithium

Product 1

HCID 229019383-(2,5,5-Trimethyl-1,3-dioxan-2-yl)thiophene-2-sulfonamide

Sources & evidence

ORD record
ord-2b2e952cfde44b63aae5a327973c118f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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