Acetic Acid → 1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)-4-methylpiperidin-1-yl)ethyl)-7-methoxy-4-methylquinolin-2(1H)-one

HRID 686670Notes

Reaction equation

HRID 686670 reaction equation
[C:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[C:51](=[O:52])([O-:53])[OH:54].[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([CH3:36])[cH:27][c:28](=[O:35])[n:29]([CH2:32][CH:33]=[O:34])[c:30]2[cH:31]1.[CH3:60][C:61](=[O:62])[OH:63].[CH:56]([Cl:57])([Cl:58])[Cl:59].[Cl:64][CH2:65][Cl:66].[Na+:50].[Na+:55].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][NH:12][C:13]1([CH3:19])[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1)[cH:10]2>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][NH:12][C:13]1([CH3:19])[CH2:14][CH2:15][N:16]([CH2:33][CH2:32][n:29]3[c:28](=[O:35])[cH:27][c:26]([CH3:36])[c:25]4[cH:24][cH:23][c:22]([O:21][CH3:20])[cH:31][c:30]43)[CH2:17][CH2:18]1)[cH:10]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 59397837(7-methoxy-4-methyl-2-oxoquinolin-1(2H)-yl)acetaldehydeHCID 59398095N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylpiperidine-4-amine

Product 1

HCID 593978651-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)-4-methylpiperidin-1-yl)ethyl)-7-methoxy-4-methylquinolin-2(1H)-one

Sources & evidence

ORD record
ord-6a35be403ef84d0bbd7e2e5b102f618b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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