Toluene → [3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] N-methyl-N-[4-(trifluoromethoxy)phenyl]carbamate

HRID 2140838Notes

Reaction equation

HRID 2140838 reaction equation
[CH3:1][N:2]([C:3](=[O:4])[Cl:5])[c:6]1[cH:7][cH:8][c:9]([O:12][C:13]([F:14])([F:15])[F:16])[cH:10][cH:11]1.[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:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[Cl:26][c:27]1[n:28]([CH2:35][C:36]([CH2:37][OH:38])([CH3:39])[OH:40])[cH:29][c:30]([N+:32](=[O:33])[O-:34])[n:31]1>>[CH3:1][N:2]([C:3](=[O:4])[O:38][CH2:37][C:36]([CH2:35][n:28]1[c:27]([Cl:26])[n:31][c:30]([N+:32](=[O:33])[O-:34])[cH:29]1)([CH3:39])[OH:40])[c:6]1[cH:7][cH:8][c:9]([O:12][C:13]([F:14])([F:15])[F:16])[cH:10][cH:11]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 23081257N-Methyl-N-(4-trifluoromethoxyphenyl)-carbamoyl chloride

Product 1

HCID 23081627[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] N-methyl-N-[4-(trifluoromethoxy)phenyl]carbamate

Sources & evidence

ORD record
ord-45c192295f1343ed9e4f2a05187e4e07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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