Sodium ion → 3-[4-(trifluoromethyl)phenyl]prop-2-enyl 4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazine-1-carboxylate

HRID 2136147Notes

Reaction equation

HRID 2136147 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:6][c:7]1[cH:8][cH:9][cH:10][c:11]([N+:12]([O-:13])=[O:14])[c:15]1[S:16][c:17]1[n:18]([CH2:25][C:26]([CH2:27][N:28]2[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH:39][c:40]3[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]3)[CH2:32][CH2:33]2)([CH3:50])[OH:51])[cH:19][c:20]([N+:22](=[O:23])[O-:24])[n:21]1.[Na+:57].[OH2:58]>>[c:17]12[n:18]([cH:19][c:20]([N+:22](=[O:23])[O-:24])[n:21]1)[CH2:25][C:26]([CH2:27][N:28]1[CH2:29][CH2:30][N:31]([C:34](=[O:35])[O:36][CH2:37][CH:38]=[CH:39][c:40]3[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]3)[CH2:32][CH2:33]1)([CH3:50])[O:51]2

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 913372743-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[3-[2-(2-chloro-6-nitrophenyl)sulfanyl-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate

Product 1

HCID 671572823-[4-(trifluoromethyl)phenyl]prop-2-enyl 4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-18cb6dd894c84784a8ee401f1b778b8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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