Dichloromethane → 3,5-Dimethylisoxazole

HRID 1551648Notes

Reaction equation

HRID 1551648 reaction equation
[CH2:8]1[O:9][c:10]2[c:11]([S:17](=[O:18])(=[O:19])[NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[cH:12][cH:13][cH:14][c:15]2[O:16]1.[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:7])[cH:6]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[OH:28][C:29]([C:30]([F:31])([F:32])[F:33])=[O:34]>>[CH2:8]1[O:9][c:10]2[c:11]([S:17](=[O:18])(=[O:19])[NH2:20])[cH:12][cH:13][cH:14][c:15]2[O:16]1.[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:7])[cH:6]1

Participants

7

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 93123,5-DimethylisoxazoleHCID 81531DiisopropylethylamineHCID 86593017tert-butyl N-(1,3-benzodioxol-4-ylsulfonyl)carbamate

Product 2

HCID 93123,5-DimethylisoxazoleHCID 224999261,3-Benzodioxole-4-sulfonamide

Sources & evidence

ORD record
ord-bfab76f2ac334dd99a541f3b6a0c1b60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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