Acetic Acid → HCID 57815331, compound

HRID 312643Notes

Reaction equation

HRID 312643 reaction equation
[C:41]([BH3-:42])#[N:43].[C:45](=[O:46])([O-:47])[OH:48].[CH3:36][OH:37].[CH3:38][O-:39].[CH3:50][OH:51].[CH3:57][C:58](=[O:59])[OH:60].[CH:53]([Cl:54])([Cl:55])[Cl:56].[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+:40].[Na+:44].[Na+:49].[OH2:52].[n:24]1[cH:25][c:26]([CH:34]=[O:35])[cH:27][c:28]2[n:29][cH:30][cH:31][cH:32][c:33]12>>[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)[CH2:34][c:26]1[cH:25][n:24][c:33]2[c:28]([cH:27]1)[n:29][cH:30][cH:31][cH:32]2

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 962WaterHCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 497616061,5-Naphthyridine-3-carbaldehydeHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

Product 1

HCID 57815331HCID 57815331, compound

Sources & evidence

ORD record
ord-05f7340767074f078df4eef851bbd6c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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