Sodium ion → 2-(4-Tert-butoxycarbonylpiperazin-1-yl)methyl-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole

HRID 210012Notes

Reaction equation

HRID 210012 reaction equation
[C:14]([O:15][C:16]([N:17]1[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1)=[O:23])([CH3:24])([CH3:25])[CH3:26].[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([CH2:40][C:41]([CH2:42][n:43]2[c:44]([Br:51])[n:45][c:46]([N+:48](=[O:49])[O-:50])[cH:47]2)([CH3:52])[OH:53])[CH2:38][CH2:39]1.[CH3:1][C:2]1([CH2:3][n:4]2[cH:5][c:6]([N+:7]([O-:8])=[O:9])[n:10][cH:11]2)[CH2:12][O:13]1.[CH:56]([OH:57])([CH3:58])[CH3:59].[H-:54].[Na+:55].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65]>>[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][N:37]([CH2:40][C:41]2([CH3:52])[CH2:42][n:43]3[c:44]([n:45][c:46]([N+:48](=[O:49])[O-:50])[cH:47]3)[O:53]2)[CH2:38][CH2:39]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 6228DimethylformamideHCID 143452tert-Butyl piperazine-1-carboxylateHCID 166653HydrideHCID 686533884-[3-(2-Bromo-4-nitro-imidazol-1-yl)-2-hydroxy-2-methyl-propyl]-piperazine-1-carboxylic acid tert-butyl esterHCID 866206311-(2-methyl-oxiranylmethyl)-4-nitro-1H-imidazole

Product 1

HCID 230810802-(4-Tert-butoxycarbonylpiperazin-1-yl)methyl-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole

Sources & evidence

ORD record
ord-c7ab5ce765084114930f4934b7c84f67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…