Toluene → [3-(2-Chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] 4-[(4-chlorophenyl)methyl]piperazine-1-carboxylate

HRID 1536248Notes

Reaction equation

HRID 1536248 reaction equation
[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1.[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[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]1[cH:27][cH:28][c:29]([CH2:30][N:31]2[CH2:32][CH2:33][N:34]([C:37](=[O:38])[Cl:39])[CH2:35][CH2:36]2)[cH:40][cH:41]1>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][C:37]([N:34]2[CH2:33][CH2:32][N:31]([CH2:30][c:29]3[cH:28][cH:27][c:26]([Cl:25])[cH:41][cH:40]3)[CH2:36][CH2:35]2)=[O:38])([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 23081081(2R)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-2-methyl-1,2-propanediolHCID 230815584-(4-Chlorobenzyl)piperazine-1-carbonylchloride

Product 1

HCID 69480802[3-(2-Chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] 4-[(4-chlorophenyl)methyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-5919d1113aa34aa3962a082b169fbe72
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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