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

HRID 200993Notes

Reaction equation

HRID 200993 reaction equation
[C:39]([BH3-:40])#[N:41].[C:43](=[O:44])([O-:45])[OH:46].[CH2:29]([CH3:30])[c:31]1[cH:32][cH:33][c:34]([CH:37]=[O:38])[n:35][cH:36]1.[CH3:24][OH:25].[CH3:26][O-:27].[CH3:48][OH:49].[CH3:54][C:55](=[O:56])[OH:57].[CH:50]([Cl:51])([Cl:52])[Cl:53].[ClH: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+:42].[Na+:47]>>[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)[CH2:37][c:34]1[cH:33][cH:32][c:31]([CH2:29][CH3:30])[cH:36][n:35]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 127523665-Ethylpyridine-2-carbaldehydeHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

Product 1

HCID 578153551-(2-(4-(((5-ethylpyridin-2-yl)methyl)amino)piperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

Sources & evidence

ORD record
ord-c21260559f2040f8a6a1928a0c9cc775
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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