Acetate → tert-Butyl 4-(3-formyl-4-hydroxyphenyl)piperazine-1-carboxylate
Reaction equation
[Br:14][c:15]1[cH:16][cH:17][c:18]([OH:23])[c:19]([CH:20]=[O:21])[cH:22]1.[C:1]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])([CH3:11])([CH3:12])[CH3:13].[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:60][C:61](=[O:62])[OH:63].[Na+:42].[OH2:64].[Pd+2:54].[Pd:59]>>[c:15]1([N:34]2[CH2:33][CH2:32][N:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35]2)[cH:16][cH:17][c:18]([OH:23])[c:19]([CH:20]=[O:21])[cH:22]1Participants
12
Reactant 11
HCID 175Acetate2×
HCID 176Acetic Acid
HCID 923Sodium ion
HCID 962Water
HCID 1140Toluene
HCID 23938Palladium
HCID 728635-Bromosalicylaldehyde
HCID 83681Tris(1,1-dimethylethyl)phosphine
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 143452tert-Butyl piperazine-1-carboxylate
HCID 45749132-Methylpropan-2-olateProduct 1
Sources & evidence
- ORD record
- ord-ec219a8e7d5d48549ad07f0ad91b1707
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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