Triphenylphosphine → 5-(3-Dimethylamino-prop-1-ynyl)-7-methyl-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

HRID 1140201Notes

Reaction equation

HRID 1140201 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.[CH3:25][N:26]([CH2:27][C:28]#[CH:29])[CH3:30].[Cu:72]([I:73])[I:74].[Pd:31]([Cl:32])[Cl:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[c:2]1([C:29]#[C: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

6

Reactant 5

HCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 81643N,N-DimethylpropargylamineHCID 83717Copper iodideHCID 11560384HCID 11560384, compound

Product 1

HCID 116970215-(3-Dimethylamino-prop-1-ynyl)-7-methyl-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

Sources & evidence

ORD record
ord-e3a521bb59ab45398a2693821c9a4339
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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