Methanol → 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 101407Notes

Reaction equation

HRID 101407 reaction equation
[C:60]([O:61][CH2:62][CH3:63])(=[O:64])[CH3:65].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:51][C:52]([CH3:53])([O-:54])[CH3:55].[CH3:58][OH:59].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cl:66][CH2:67][Cl:68].[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)[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+:56].[OH2:57]>>[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

Participants

9

Reactant 8

HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl Acetate2×HCID 45749132-Methylpropan-2-olateHCID 916005553-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[2-hydroxy-2-methyl-3-[4-nitro-2-(4-nitrophenyl)sulfanylimidazol-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-8dfa1944be26452c949b9f419c44d32b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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