Acetate → 5-(2,2-Difluoro-ethoxy)-7-chloro-2-(4-chloro-benzyl)-2,3-dihydro-isoindol-1-one

HRID 284841Notes

Reaction equation

HRID 284841 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:8]([c:9]([Cl:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]1)[CH2:5]2.[C:21](=[O:22])([O-:23])[O-:24].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cs+:25].[Cs+:26].[F:27][CH:28]([CH2:29][OH:30])[F:31].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[Pd+2:39]>>[c:2]1([O:30][CH2:29][CH:28]([F:27])[F:31])[cH:3][c:4]2[c:8]([c:9]([Cl:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]1)[CH2:5]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1361872,2-Difluoroethan-1-olHCID 116393035-Bromo-7-chloro-2-(4-chloro-benzyl)-2,3-dihydro-isoindol-1-one

Product 1

HCID 866356775-(2,2-Difluoro-ethoxy)-7-chloro-2-(4-chloro-benzyl)-2,3-dihydro-isoindol-1-one

Sources & evidence

ORD record
ord-d5d46bb2ad074e3d8b7598e6792d0c57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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