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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 296469
Notes
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Reaction equation

HRID 296469 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:53][C:54]([CH3:55])([O-:56])[CH3:57].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[N+:6](=[O:7])([O-:8])[c:9]1[n:10][c:11]([S:41]([c:42]2[cH:43][cH:44][c:45]([N+:46]([O-:47])=[O:48])[cH:49][cH:50]2)(=[O:51])=[O:52])[n:12]([CH2:14][C:15]([CH2:16][N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][CH2:26][CH:27]=[CH:28][c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[CH2:21][CH2:22]2)([CH3:39])[OH:40])[cH:13]1.[Na+:58].[OH2:59]>>[N+:6](=[O:7])([O-:8])[c:9]1[n:10][c:11]2[n:12]([cH:13]1)[CH2:14][C:15]([CH2:16][N:17]1[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][CH2:26][CH:27]=[CH:28][c:29]3[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]3)[CH2:21][CH2:22]1)([CH3:39])[O:40]2
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 914408253-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[2-hydroxy-2-methyl-3-[4-nitro-2-(4-nitrophenyl)sulfonylimidazol-1-yl]propyl]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-a110c6bc43ca49af8486abb092873572
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes