Acetate → Methyl 5-[4-(4,5-dimethyl-6-phenoxypyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

HRID 304845Notes

Reaction equation

HRID 304845 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]([N:11]2[CH:12]([CH3:26])[CH2:13][N:14]([c:17]3[n:18][n:19][c:20]([Cl:25])[c:21]([CH3:24])[c:22]3[CH3:23])[CH2:15][CH2:16]2)[n:9][cH:10]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[K+:39].[K+:40].[K+:41].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[OH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[P:34]([O-:35])([O-:36])([O-:37])=[O:38].[Pd+2:49]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]([N:11]2[CH:12]([CH3:26])[CH2:13][N:14]([c:17]3[n:18][n:19][c:20]([O:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[c:21]([CH3:24])[c:22]3[CH3:23])[CH2:15][CH2:16]2)[n:9][cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 996PhenolHCID 1061PhosphateHCID 1140TolueneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 72539429Methyl 5-[4-(6-chloro-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

Product 1

HCID 77236166Methyl 5-[4-(4,5-dimethyl-6-phenoxypyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazine-2-carboxylate

Sources & evidence

ORD record
ord-3fe9d1de49e0480c891e3d2e1cf0a5cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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