Isopropanol → HCID 86604753, compound

HRID 146856Notes

Reaction equation

HRID 146856 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[O:19])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1.[CH:38]([OH:39])([CH3:40])[CH3:41].[N+:21](=[O:22])([O-:23])[c:24]1[c:25]([C:26](=[O:27])[O:28][CH3:29])[cH:30][cH:31][c:32]([C:34](=[O:35])[NH:36][NH2:37])[cH:33]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([OH:20])[c:13]([C:17]([CH3:18])=[N:37][NH:36][C:34]([c:32]3[cH:31][cH:30][c:25]([C:26](=[O:27])[O:28][CH3:29])[c:24]([N+:21](=[O:22])[O-:23])[cH:33]3)=[O:35])[n:14][n:15]2[CH3:16])[cH:9][cH:10]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 669863564-Methoxycarbonyl-3-nitrobenzhydrazideHCID 670500841-[5-(4-t-Butylphenyl)-4-hydroxy-1-methyl-1H-pyrazol-3-yl]ethanone

Product 1

HCID 86604753HCID 86604753, compound

Sources & evidence

ORD record
ord-20b14426e3704fccb8a325decbe02ca0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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