Acetic Acid → 4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)-N-methyl-1-(2-(2-oxoquinoxalin-1(2H)-yl)ethyl)piperidine-4-carboxamide

HRID 119272Notes

Reaction equation

HRID 119272 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].[CH3:60][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([C:19](=[O:20])[NH:21][CH3:22])[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1)[cH:10]2.[O:23]=[c:24]1[n:25]([CH2:34][CH:35]=[O:36])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]2[n:32][cH:33]1>>[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([C:19](=[O:20])[NH:21][CH3:22])[CH2:14][CH2:15][N:16]([CH2:35][CH2:34][n:25]3[c:24](=[O:23])[cH:33][n:32][c:31]4[c:26]3[cH:27][cH:28][cH:29][cH:30]4)[CH2:17][CH2:18]1)[cH:10]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6212ChloroformHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 59397888(2-oxoquinoxalin-1(2H)-yl)acetaldehydeHCID 59398153HCID 59398153, compound

Product 1

HCID 593978244-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)-N-methyl-1-(2-(2-oxoquinoxalin-1(2H)-yl)ethyl)piperidine-4-carboxamide

Sources & evidence

ORD record
ord-e58d4f0570484487b817e7bea37ccf9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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