Acetonitrile → 2-(3-Dimethylamino-1-propynyl)-5-(trifluoromethyl)aniline

HRID 2132345Notes

Reaction equation

HRID 2132345 reaction equation
[Br:1][c:2]1[c:3]([NH2:4])[cH:5][c:6]([C:9]([F:10])([F:11])[F:12])[cH:7][cH:8]1.[CH3:13][N:14]([CH2:15][C:16]#[CH:17])[CH3:18].[CH3:72][C:73]#[N:74].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Cu:69]([I:70])[I:71].[Pd:28]([Cl:29])[Cl:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[c:2]1([C:17]#[C:16][CH2:15][N:14]([CH3:13])[CH3:18])[c:3]([NH2:4])[cH:5][c:6]([C:9]([F:10])([F:11])[F:12])[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 679892-Bromo-5-(trifluoromethyl)benzenamineHCID 81531DiisopropylethylamineHCID 81643N,N-DimethylpropargylamineHCID 83717Copper iodide

Product 1

HCID 684639942-(3-Dimethylamino-1-propynyl)-5-(trifluoromethyl)aniline

Sources & evidence

ORD record
ord-317ed0af4b7a4dc59d28231795a4e1b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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