Acetate → 6-[(5-Methyl-3-phenyl-isoxazol-4-ylmethyl)-amino]-pyridazine-3-carboxylic acid isopropylamide

HRID 1210871Notes

Reaction equation

HRID 1210871 reaction equation
[CH3:22][CH:23]([CH3:24])[NH2:25].[I:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH2:9][c:10]2[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:12][o:13][c:14]2[CH3:15])[n:6][n:7]1.[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[Pd+2:50].[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:2]1([C:46]([NH:25][CH:23]([CH3:22])[CH3:24])=[O:45])[cH:3][cH:4][c:5]([NH:8][CH2:9][c:10]2[c:11](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:12][o:13][c:14]2[CH3:15])[n:6][n:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 6363IsopropylamineHCID 11776TriphenylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 86630896(6-Iodo-pyridazine-3-yl)-(5-methyl-3-phenyl-isoxazol-4ylmethyl)-amine

Product 1

HCID 671580036-[(5-Methyl-3-phenyl-isoxazol-4-ylmethyl)-amino]-pyridazine-3-carboxylic acid isopropylamide

Sources & evidence

ORD record
ord-2b28b3baa84c44a0915e10c22cf1d704
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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