Acetone → Tert-butyl 3-[2-(3-chlorophenyl)-6-oxooxan-2-yl]piperidine-1-carboxylate

HRID 1557677Notes

Reaction equation

HRID 1557677 reaction equation
[CH3:33][C:34]1([CH3:43])[N:35]([O:36])[C:37]([CH3:38])([CH3:39])[CH2:40][CH2:41][CH2:42]1.[CH3:56][C:57](=[O:58])[CH3:59].[CH3:60][CH:61]([OH:62])[CH3:63].[Cl:1][c:2]1[cH:3][c:4]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][OH:13])([OH:14])[CH:15]2[CH2:16][N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:18][CH2:19][CH2:20]2)[cH:5][cH:6][cH:7]1.[Cl:44][n:45]1[c:46](=[O:47])[n:48]([Cl:49])[c:50](=[O:51])[n:52]([Cl:53])[c:54]1=[O:55].[Na+:32].[O-:28][C:29]([OH:30])=[O:31]>>[Cl:1][c:2]1[cH:3][c:4]([C:8]2([CH:15]3[CH2:16][N:17]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:18][CH2:19][CH2:20]3)[CH2:9][CH2:10][CH2:11][C:12](=[O:13])[O:14]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3776IsopropanolHCID 6909Trichloroisocyanuric AcidHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 72529726Tert-butyl 3-[1-(3-chlorophenyl)-1,5-dihydroxypentyl]piperidine-1-carboxylate

Product 1

HCID 68713867Tert-butyl 3-[2-(3-chlorophenyl)-6-oxooxan-2-yl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-c1240b7719aa44958d11e06e0f2c548c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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