Acetic Acid → 4-[4-Methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-2-carboxylic acid

HRID 2151038Notes

Reaction equation

HRID 2151038 reaction equation
[C:50].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[CH:11]1[N:12]([S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]2)[CH2:13][CH2:14][N:15]([c:17]2[s:18][c:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:20]([CH3:22])[n:21]2)[CH2:16]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][OH:49].[Pd:51]>>[O:8]=[C:9]([OH:10])[CH:11]1[N:12]([S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][c:36]([O:39][C:40]([F:41])([F:42])[F:43])[cH:37][cH:38]2)[CH2:13][CH2:14][N:15]([c:17]2[s:18][c:19]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:20]([CH3:22])[n:21]2)[CH2:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 297MethaneHCID 887MethanolHCID 23938PalladiumHCID 67410031Tert-butyl 4-methyl-2-[3-phenylmethoxycarbonyl-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylate

Product 1

HCID 674083264-[4-Methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazol-2-yl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-2-carboxylic acid

Sources & evidence

ORD record
ord-42c5fa9d960c45b39ad8b0313eeb1093
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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