Acetic Acid → 2-(2,4-Difluorophenyl)hexahydro-1H-isoindole-1,3(2H)-dione

HRID 1141003Notes

Reaction equation

HRID 1141003 reaction equation
[CH3:21][C:22](=[O:23])[OH:24].[CH:10]12[CH:11]([CH2:12][CH2:13][CH2:14][CH2:15]1)[C:16](=[O:17])[O:18][C:19]2=[O:20].[F:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([F:9])[cH:8]1>>[F:1][c:2]1[c:3]([N:4]2[C:16](=[O:17])[CH:11]3[CH:10]([CH2:15][CH2:14][CH2:13][CH2:12]3)[C:19]2=[O:18])[cH:5][cH:6][c:7]([F:9])[cH:8]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 97092,4-DifluoroanilineHCID 85689Hexahydrophthalic anhydride

Product 1

HCID 203846662-(2,4-Difluorophenyl)hexahydro-1H-isoindole-1,3(2H)-dione

Sources & evidence

ORD record
ord-407d8ed1a2df43daa0497b476747d083
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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