Acetate → 5-(2-Dimethylamino-ethoxy)-7-methyl-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

HRID 177304Notes

Reaction equation

HRID 177304 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:8]([c:9]([CH3:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]1)[CH2:5]2.[C:31](=[O:32])([O-:33])[O-:34].[CH3:25][N:26]([CH2:27][CH2:28][OH:29])[CH3:30].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cs+:35].[Cs+:36].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[Pd+2:44]>>[c:2]1([O:29][CH2:28][CH2:27][N:26]([CH3:25])[CH3:30])[cH:3][c:4]2[c:8]([c:9]([CH3:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]1)[CH2:5]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 79022-(Dimethylamino)ethanolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11560384HCID 11560384, compound

Product 1

HCID 579496355-(2-Dimethylamino-ethoxy)-7-methyl-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

Sources & evidence

ORD record
ord-be3a7295bdad4f2f871e7162c2546b99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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