Acetone → 8-methoxy-1-[6-(N-methyl-N-phenylamino)pyridin-3-ylmethyl]-2-oxo-1,2,3,4-tetrahydroquinoline-5-carboxaldehyde

HRID 678830Notes

Reaction equation

HRID 678830 reaction equation
[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][C:63](=[O:64])[CH3:65].[Na+:51].[O:18]1[CH:19]([c:23]2[c:24]3[c:29]([c:30]([O:33][CH3:34])[cH:31][cH:32]2)[N:28]([CH2:35][c:36]2[cH:37][n:38][c:39]([N:42]([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[CH3:49])[cH:40][cH:41]2)[C:27](=[O:50])[CH2:26][CH2:25]3)[O:22][CH2:21][CH2:20]1.[OH2:66].[OH:52][C:53](=[O:54])[O-:55].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[nH+:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[O:18]=[CH:19][c:23]1[c:24]2[c:29]([c:30]([O:33][CH3:34])[cH:31][cH:32]1)[N:28]([CH2:35][c:36]1[cH:37][n:38][c:39]([N:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[CH3:49])[cH:40][cH:41]1)[C:27](=[O:50])[CH2:26][CH2:25]2

Participants

9

Reactant 8

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 66596977HCID 66596977, compound

Product 1

HCID 866139188-methoxy-1-[6-(N-methyl-N-phenylamino)pyridin-3-ylmethyl]-2-oxo-1,2,3,4-tetrahydroquinoline-5-carboxaldehyde

Sources & evidence

ORD record
ord-517bcdf1d2bb420285f1017805d504a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…