Methanol → 4-isopropyl-6-hydroxy-2-[1-(4-chlorophenyl)-3-trifluoromethylpyrazol-5-yl-oxymethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

HRID 1536039Notes

Reaction equation

HRID 1536039 reaction equation
[Br:24][CH2:25][N:26]1[S:27](=[O:40])(=[O:41])[c:28]2[c:29]([c:32]([CH:37]([CH3:38])[CH3:39])[cH:33][c:34]([OH:36])[cH:35]2)[C:30]1=[O:31].[C:18](=[O:19])([O-:20])[O-:21].[CH3:42][OH:43].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]2[OH:13])[cH:6][cH:7]1.[Cs+:22].[Cs+:23]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:14]([F:15])([F:16])[F:17])[cH:11][c:12]2[O:13][CH2:25][N:26]2[S:27](=[O:40])(=[O:41])[c:28]3[c:29]([c:32]([CH:37]([CH3:38])[CH3:39])[cH:33][c:34]([OH:36])[cH:35]3)[C:30]2=[O:31])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 887MethanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 189225922-bromomethyl-4-isopropyl-6-hydroxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxideHCID 178516154HCID 178516154, compound

Product 1

HCID 189225854-isopropyl-6-hydroxy-2-[1-(4-chlorophenyl)-3-trifluoromethylpyrazol-5-yl-oxymethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-c853035dae8d41c9bf4aee7d935c6f71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…