Acetate → 2-[2-(4-Methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]butanoic acid

HRID 1567214Notes

Reaction equation

HRID 1567214 reaction equation
[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH2:10]([CH3:11])[CH:12]([C:13](=[O:14])[OH:15])[c:16]1[n:17][c:18]([Cl:21])[s:19][cH:20]1.[CH3:30][c:31]1[c:32](-[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[n:33][nH:34][c:35]1-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[K+:27].[K+:28].[K+:29].[OH2:57].[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[Pd+2:52].[c:1]1([CH3:2])[cH:3][c:4]([CH3:5])[cH:6][c:7]([CH3:8])[cH:9]1>>[CH2:10]([CH3:11])[CH:12]([C:13](=[O:14])[OH:15])[c:16]1[n:17][c:18](-[n:33]2[c:32](-[c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]3)[c:31]([CH3:30])[c:35](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[n:34]2)[s:19][cH:20]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 7947MesityleneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 51222584-methyl-3,5-diphenyl-1H-pyrazoleHCID 670719272-(2-Chloro-1,3-thiazol-4-yl)butanoic acid

Product 1

HCID 670720002-[2-(4-Methyl-3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]butanoic acid

Sources & evidence

ORD record
ord-afa4b6a9d7864e6895451170fbeb6a91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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