2,3-Dihydroxybutanedioic Acid → 3-[3-(1-Ethoxycarbonyl-1-methyl-ethoxy)-4-methyl-phenyl]-piperidine-1-carboxylic acid 4-trifluoromethyl-benzyl ester

HRID 2136995Notes

Reaction equation

HRID 2136995 reaction equation
[C:1]([OH:2])(=[O:3])[CH:4]([CH:5]([C:6]([OH:7])=[O:8])[OH:9])[OH:10].[CH2:11]([CH3:12])[O:13][C:14]([C:15]([CH3:16])([O:17][c:18]1[c:19]([CH3:30])[cH:20][cH:21][c:22]([CH:24]2[CH2:25][NH:26][CH2:27][CH2:28][CH2:29]2)[cH:23]1)[CH3:31])=[O:32].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([CH2:39][O:40][C:41](=[O:42])[n:43]2[cH:44][cH:45][n:46][cH:47]2)[cH:48][cH:49]1)([F:50])[F:51]>>[CH2:11]([CH3:12])[O:13][C:14]([C:15]([CH3:16])([O:17][c:18]1[c:19]([CH3:30])[cH:20][cH:21][c:22]([CH:24]2[CH2:25][N:26]([C:41]([O:40][CH2:39][c:38]3[cH:37][cH:36][c:35]([C:34]([F:33])([F:50])[F:51])[cH:49][cH:48]3)=[O:42])[CH2:27][CH2:28][CH2:29]2)[cH:23]1)[CH3:31])=[O:32]

Participants

5

Reactant 4

HCID 8752,3-Dihydroxybutanedioic AcidHCID 8857Ethyl AcetateHCID 68882567Imidazole-1-carboxylic acid 4-trifluoromethylbenzyl esterHCID 68883087Ethyl 2-methyl-2-(2-methyl-5-piperidin-3-ylphenoxy)propanoate

Product 1

HCID 688868503-[3-(1-Ethoxycarbonyl-1-methyl-ethoxy)-4-methyl-phenyl]-piperidine-1-carboxylic acid 4-trifluoromethyl-benzyl ester

Sources & evidence

ORD record
ord-a1ee506965954a9e8274afea7cea20aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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