Sodium ion → tert-butyl 4-(5-{[(4-nitro-1-phenyl-1H-pyrazol-3-yl)amino]carbonyl}pyridin-2-yl)piperazine-1-carboxylate

HRID 2157138Notes

Reaction equation

HRID 2157138 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH2:26][CH2:27][N:28]([c:31]2[n:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]2)[CH2:29][CH2:30]1.[H-:16].[H-:67].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:15])[n:6][n:7](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:8]1.[N+:69]([c:70]1[cH:71][cH:72][nH:73][n:74]1)([O-:75])=[O:76].[Na+:17].[Na+:68].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([O:48][P+:49]([CH:50]([CH3:51])[CH3:52])([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58])[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:15][C:35]([c:34]2[cH:33][n:32][c:31]([N:28]3[CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH2:30][CH2:29]3)[cH:39][cH:38]2)=[O:36])[n:6][n:7](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:8]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 166653Hydride2×HCID 27718236-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pyridine-3-carboxylic acidHCID 230849134-nitro-1-phenyl-1H-Pyrazol-3-amineHCID 86626030Benzotriazol-1-yloxy-tri(propan-2-yl)phosphaniumHCID 178526745HCID 178526745, compound

Product 1

HCID 67408038tert-butyl 4-(5-{[(4-nitro-1-phenyl-1H-pyrazol-3-yl)amino]carbonyl}pyridin-2-yl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-52944d9adb3a40c280494864d12fa330
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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