Acetate → 3'-Pyridin-4-ylethynyl-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-carboxylic acid (3,5-bis-trifluoromethylphenyl)amide

HRID 1564570Notes

Reaction equation

HRID 1564570 reaction equation
[C:32](#[CH:33])[c:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][C:67]#[N:68].[ClH:31].[Cu:78][I:79].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][cH:25][n:26][c:27]3[Cl:28])[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[Pd+2:69].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][cH:25][n:26][c:27]3[C:33]#[C:32][c:34]3[cH:35][cH:36][n:37][cH:38][cH:39]3)[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:29])[F:30]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6428014-EthynylpyridineHCID 59013946HCID 59013946, compound

Product 1

HCID 590139503'-Pyridin-4-ylethynyl-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-carboxylic acid (3,5-bis-trifluoromethylphenyl)amide

Sources & evidence

ORD record
ord-da2d05891b1845359be6ea4ac6e6816d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…