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Ammonium → 4-isopropyl-6-methoxy-2-[1-(2-pyrimidinyl)-3-(trifluoro methyl)pyrazol-5-yl-oxymethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

HRID 285022
Notes
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Reaction equation

HRID 285022 reaction equation
[Br:19][CH2:20][N:21]1[S:22](=[O:36])(=[O:37])[c:23]2[c:24]([c:27]([CH:33]([CH3:34])[CH3:35])[cH:28][c:29]([O:31][CH3:32])[cH:30]2)[C:25]1=[O:26].[Cl-:43].[F-:17].[K+:18].[NH4+:44].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[n:1]1[c:2](-[n:7]2[n:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][c:11]2[OH:12])[n:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[n:7]2[n:8][c:9]([C:13]([F:14])([F:15])[F:16])[cH:10][c:11]2[O:12][CH2:20][N:21]2[S:22](=[O:36])(=[O:37])[c:23]3[c:24]([c:27]([CH:33]([CH3:34])[CH3:35])[cH:28][c:29]([O:31][CH3:32])[cH:30]3)[C:25]2=[O:26])[n:3][cH:4][cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium CationHCID 6228DimethylformamideHCID 28179Fluoride IonHCID 108825772-bromomethyl-4-isopropyl-6-methoxy-1,2-benzisothiazol-3(2H)-one 1,1-dioxideHCID 178516161HCID 178516161, compound

Product 1

HCID 867525504-isopropyl-6-methoxy-2-[1-(2-pyrimidinyl)-3-(trifluoro methyl)pyrazol-5-yl-oxymethyl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-d92b05b561314b2b8cdc5b3f0dd01094
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes