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

HRID 832272Notes

Reaction equation

HRID 832272 reaction equation
[CH3:25][N:26]([C:27](=[O:28])[Cl:29])[CH2:30][c:31]1[cH:32][cH:33][c:34]([O:37][C:38]([F:39])([F:40])[F:41])[cH:35][cH:36]1.[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:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][C:27]([N:26]([CH3:25])[CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][C:38]([F:39])([F:40])[F:41])[cH:35][cH:36]2)=[O:28])([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 23081644HCID 23081644, compound

Product 1

HCID 23081574[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl] N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate

Sources & evidence

ORD record
ord-df2ad0060c1644b9a88e3e62fb8341cc
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

Loading…