Acetate → 4-(4-t-Butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzaldehydeoxime

HRID 87140

Reaction equation

HRID 87140 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([c:11]2[c:12]([N:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][CH2:27][CH3:28])[CH2:23][CH2:24]3)[cH:13][c:14]([CH:15]=[O:16])[cH:17][cH:18]2)[CH2:9][CH2:10]1.[CH3:33][C:34](=[O:35])[O-:36].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:46][CH2:47][OH:48].[Cl-:29].[Cl-:37].[NH4+:38].[Na+:32].[OH2:45].[OH:30][NH3+:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([c:11]2[c:12]([N:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][CH2:27][CH3:28])[CH2:23][CH2:24]3)[cH:13][c:14]([CH:15]=[N:31][OH:30])[cH:17][cH:18]2)[CH2:9][CH2:10]1

Participants

10

Reactant 9

HCID 175AcetateHCID 223AmmoniumHCID 312Chloride2×HCID 702EthanolHCID 923Sodium ionHCID 933HydroxyammoniumHCID 962WaterHCID 8857Ethyl AcetateHCID 231425004-(4-t-Butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzaldehyde

Product 1

HCID 740205524-(4-t-Butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzaldehydeoxime

Sources & evidence

ORD record
ord-a3f732642ae04cf1b16d13de701d076b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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