Toluene → [3-(2-Chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] 4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

HRID 669329Notes

Reaction equation

HRID 669329 reaction equation
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][OH:13])([CH3:14])[OH:15])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([O:29][CH:30]2[CH2:31][CH2:32][N:33]([C:36](=[O:37])[Cl:38])[CH2:34][CH2:35]2)[cH:39][cH:40]1)([F:41])[F:42]>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][C:36]([N:33]2[CH2:32][CH2:31][CH:30]([O:29][c:28]3[cH:27][cH:26][c:25]([C:24]([F:23])([F:41])[F:42])[cH:40][cH:39]3)[CH2:35][CH2:34]2)=[O:37])([CH3:14])[OH:15])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 202630804-(4-Trifluoromethylphenoxy)piperidine-1-carbonylchlorideHCID 23081081(2R)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-2-methyl-1,2-propanediol

Product 1

HCID 69481042[3-(2-Chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] 4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-9f3b0081a1b149a0839eb4ce63f24c7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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