Acetic Acid → 4-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-2-pentafluorosulfanylbenzonitrile

HRID 212341Notes

Reaction equation

HRID 212341 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[Cu:34][C:35]#[N:36].[K:37][C:38]#[N:39].[N:30]([O-:31])=[O:32].[NH2:6][c:7]1[c:8]([S:24]([F:25])([F:26])([F:27])([F:28])[F:29])[cH:9][c:10]([N:13]2[C:14](=[O:23])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[C:21]2=[O:22])[cH:11][cH:12]1.[Na+:33].[OH2:44].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[c:7]1([C:35]#[N:36])[c:8]([S:24]([F:25])([F:26])([F:27])([F:28])[F:29])[cH:9][c:10]([N:13]2[C:14](=[O:23])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[C:21]2=[O:22])[cH:11][cH:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 596421372-(4-Amino-3-pentafluorosulfanylphenyl)isoindole-1,3-dioneHCID 178418546HCID 178418546, compoundHCID 178511842HCID 178511842, compound

Product 1

HCID 596421514-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)-2-pentafluorosulfanylbenzonitrile

Sources & evidence

ORD record
ord-3fd81a939e79493fb18a077538603a0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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