O-Cresol → 3a-(3,4-difluorophenyl)-3a,4,7,7a-tetrahydro-2-methyl-4,7-ethano-1H-isoindole-1,3(2H)-dione

HRID 108222

Reaction equation

HRID 108222 reaction equation
[CH:17]1=[CH:18][CH:19]=[CH:20][CH2:21][CH2:22]1.[CH:31]([Cl:32])([Cl:33])[Cl:34].[F:1][c:2]1[cH:3][c:4]([C:9]2=[CH:13][C:12](=[O:14])[N:11]([CH3:15])[C:10]2=[O:16])[cH:5][cH:6][c:7]1[F:8].[OH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][c:29]1[CH3:30]>>[F:1][c:2]1[cH:3][c:4]([C:9]23[C:10](=[O:16])[N:11]([CH3:15])[C:12](=[O:14])[CH:13]2[CH:22]2[CH:17]=[CH:18][CH:19]3[CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 335O-CresolHCID 6212ChloroformHCID 116051,3-CyclohexadieneHCID 135195703-(3,4-difluorophenyl)-1-methyl-1H-pyrrole-2,5-dione

Product 1

HCID 135195643a-(3,4-difluorophenyl)-3a,4,7,7a-tetrahydro-2-methyl-4,7-ethano-1H-isoindole-1,3(2H)-dione

Sources & evidence

ORD record
ord-3bb44e49969d4c269314d1661b68687e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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