Acetate → 1-(2-Chloro-3,6-difluorobenzyl)-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-one

HRID 318333Notes

Reaction equation

HRID 318333 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:21][cH:22]1)[NH:6][C:7](=[O:20])[CH2:8][N:9]2[CH2:10][c:11]1[c:12]([Cl:19])[c:13]([F:18])[cH:14][cH:15][c:16]1[F:17].[CH2:64]([OH:65])[CH2:66][CH3:67].[CH3:23][N:24]1[CH2:25][CH2:26][N:27]([c:30]2[n:31][cH:32][c:33]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:34][cH:35]2)[CH2:28][CH2:29]1.[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[Pd+2:68].[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[c:2]1(-[c:33]2[cH:32][n:31][c:30]([N:27]3[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]3)[cH:35][cH:34]2)[cH:3][c:4]2[c:5]([n:21][cH:22]1)[NH:6][C:7](=[O:20])[CH2:8][N:9]2[CH2:10][c:11]1[c:12]([Cl:19])[c:13]([F:18])[cH:14][cH:15][c:16]1[F:17]

Participants

7

Reactant 6

HCID 175Acetate2×HCID 10311-PropanolHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27696181-Methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazineHCID 578858627-Bromo-1-(2-chloro-3,6-difluorobenzyl)-1,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-one

Product 1

HCID 578860121-(2-Chloro-3,6-difluorobenzyl)-7-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1,4-dihydro-2H-pyrido[2,3-b]pyrazin-3-one

Sources & evidence

ORD record
ord-2d6117bfa06f49dbb22c77f6f1b24940
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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