Acetic Acid → Hydrochloric Acid

HRID 1129788Notes

Reaction equation

HRID 1129788 reaction equation
[C:42]([BH3-:43])#[N:44].[C:46](=[O:47])([O-:48])[OH:49].[CH3:24][OH:25].[CH3:26][O-:27].[CH3:51][OH:52].[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+:28].[Na+:45].[Na+:50].[s:29]1[cH:30][c:31](-[c:34]2[cH:35][cH:36][cH:37][c:38]([CH:40]=[O:41])[n:39]2)[cH:32][cH:33]1>>[ClH:1].[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)[CH2:40][c:38]1[cH:37][cH:36][cH:35][c:34](-[c:31]2[cH:30][s:29][cH:33][cH:32]2)[n:39]1

Participants

12

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion3×HCID 6212ChloroformHCID 498716Cyano-borohydrideHCID 3826051MethoxideHCID 162178896-(3-Thienyl)pyridine-2-carboxaldehydeHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

Product 2

HCID 313Hydrochloric AcidHCID 578154277-Methoxy-1-[2-[4-[(6-thiophen-3-yl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

Sources & evidence

ORD record
ord-5742ea72ac7941479aaffbfe04cf7e59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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