Methanol → 4-(4-Benzyl-phthalazin-1-yl)-5'-isopropyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

HRID 318926Notes

Reaction equation

HRID 318926 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11]([N:18]2[CH2:19][CH2:20][N:21]([c:24]3[n:25][cH:26][c:27]([C:30](=[CH2:31])[CH3:32])[n:28][cH:29]3)[CH2:22][CH2:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH3:35][OH:36].[H:33][H:34].[OH-:37].[OH-:39].[Pd+2:38]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][n:10][c:11]([N:18]2[CH2:19][CH2:20][N:21]([c:24]3[n:25][cH:26][c:27]([CH:30]([CH3:31])[CH3:32])[n:28][cH:29]3)[CH2:22][CH2:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12

Participants

6

Reactant 5

HCID 887MethanolHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 592405284-(4-Benzyl-phthalazin-1-yl)-5'-isopropenyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinylHCID 178418361HCID 178418361, compound

Product 1

HCID 592405794-(4-Benzyl-phthalazin-1-yl)-5'-isopropyl-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl

Sources & evidence

ORD record
ord-8484a9f68a414b1493cfe1e09b064b7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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