Toluene → 4-O-tert-butyl 1-O-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] piperazine-1,4-dicarboxylate

HRID 161155Notes

Reaction equation

HRID 161155 reaction equation
[CH3:41][N:42]([CH3:43])[c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[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.[Cl:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]1>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][C:26](=[O:27])[N:28]2[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:32][CH2:33]2)([CH3:14])[OH:15])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 81531DiisopropylethylamineHCID 11334154Tert-butyl 4-(chlorocarbonyl)piperazine-1-carboxylateHCID 23081081(2R)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-2-methyl-1,2-propanediol

Product 1

HCID 694806414-O-tert-butyl 1-O-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] piperazine-1,4-dicarboxylate

Sources & evidence

ORD record
ord-b9bed49dc7454e8980a79b5a9236025a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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