Acetic Acid → 1-(2-(4-(((5-fluoro-6-methoxypyridin-3-yl)methyl)amino)piperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

HRID 308068Notes

Reaction equation

HRID 308068 reaction equation
[C:40]([BH3-:41])#[N:42].[C:44](=[O:45])([O-:46])[OH:47].[CH3:24][OH:25].[CH3:26][O-:27].[CH3:49][OH:50].[CH3:55][C:56](=[O:57])[OH:58].[CH:51]([Cl:52])([Cl:53])[Cl:54].[ClH:1].[F:29][c:30]1[c:31]([O:38][CH3:39])[n:32][cH:33][c:34]([CH:35]=[O:36])[cH:37]1.[NH2:2][CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1.[Na+:28].[Na+:43].[Na+:48]>>[NH:2]([CH:3]1[CH2:4][CH2:5][N:6]([CH2:9][CH2:10][n:11]2[c:12](=[O:23])[cH:13][cH:14][c:15]3[n:16][cH:17][c:18]([O:21][CH3:22])[cH:19][c:20]23)[CH2:7][CH2:8]1)[CH2:35][c:34]1[cH:33][n:32][c:31]([O:38][CH3:39])[c:30]([F:29])[cH:37]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 447547845-Fluoro-6-methoxypyridine-3-carbaldehydeHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

Product 1

HCID 441937831-(2-(4-(((5-fluoro-6-methoxypyridin-3-yl)methyl)amino)piperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

Sources & evidence

ORD record
ord-af57fe924375404cb7b20f6a31f98c88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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