Ethanol → 4-(3-Chlorophenoxy)piperidine

HRID 316518Notes

Reaction equation

HRID 316518 reaction equation
[Br:24][CH2:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][CH:31]([O:34][c:35]2[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]2)[CH2:32][CH2:33]1.[C:18](=[O:19])([O-:20])[O-:21].[C:42](=[O:43])([OH:44])[O-:45].[C:47]([OH:48])(=[O:49])[C:50]([OH:51])=[O:52].[CH3:1][NH:2][CH2:3][CH2:4][CH2:5][C:6]1([c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[O:14][CH2:15][CH2:16][O:17]1.[CH3:87][CH2:88][OH:89].[F:53][c:54]1[cH:55][cH:56][c:57]([C:58]2([CH2:59][CH2:60][CH2:61][N:62]([CH2:63][C:64]([N:65]3[CH2:66][CH2:67][CH:68]([O:69][c:70]4[cH:71][cH:72][cH:73][c:74]([Cl:75])[cH:76]4)[CH2:77][CH2:78]3)=[O:79])[CH3:80])[O:81][CH2:82][CH2:83][O:84]2)[cH:85][cH:86]1.[K+:22].[K+:23].[Na+:46]>>[NH:28]1[CH2:29][CH2:30][CH:31]([O:34][c:35]2[cH:36][c:37]([Cl:41])[cH:38][cH:39][cH:40]2)[CH2:32][CH2:33]1

Participants

10

Reactant 9

HCID 702EthanolHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 971Oxalic AcidHCID 19660Carbonate IonHCID 133357082-[3-(Methylamino)propyl]-2-(4-fluorophenyl)-1,3-dioxolaneHCID 20283061N-(2-bromoacetyl)-4-(m-chlorophenoxy)piperidineHCID 202831301-[4-(3-Chlorophenoxy)piperidin-1-yl]-2-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl-methylamino]ethanone

Product 1

HCID 27353174-(3-Chlorophenoxy)piperidine

Sources & evidence

ORD record
ord-fea12fa9ad7047079473af40f62fe08d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…