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

HRID 97503Notes

Reaction equation

HRID 97503 reaction equation
[C:40]([BH3-:41])#[N:42].[C:44](=[O:45])([O-:46])[OH:47].[CH3:24][OH:25].[CH3:26][O-:27].[CH3:29][O:30][c:31]1[c:32]([CH3:39])[cH:33][c:34]([CH:37]=[O:38])[n:35][cH:36]1.[CH3:49][OH:50].[CH3:56][C:57](=[O:58])[OH:59].[CH:52]([Cl:53])([Cl:54])[Cl:55].[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+:43].[Na+:48].[OH2:51]>>[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][c:32]([CH3:39])[c:31]([O:30][CH3:29])[cH:36][n:35]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 962WaterHCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-oneHCID 578153485-Methoxy-4-methylpyridine-2-carbaldehyde

Product 1

HCID 578153787-methoxy-1-(2-(4-(((5-methoxy-4-methylpyridin-2-yl)methyl)amino)piperidin-1-yl)ethyl)-1,5-naphthyridin-2(1H)-one

Sources & evidence

ORD record
ord-6838872391d74c49a42a5533217ed402
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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