Acetic Acid → Hydrochloric Acid

HRID 170692Notes

Reaction equation

HRID 170692 reaction equation
[C:24]([BH3-:25])#[N:26].[C:27]([BH3-:28])#[N:29].[C:46]([BH3-:47])#[N:48].[C:50](=[O:51])([O-:52])[OH:53].[CH3:41][OH:42].[CH3:43][O-:44].[CH3:55][OH:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][C:64](=[O:65])[OH:66].[ClH:1].[F:31][c:32]1[c:33]([CH3:40])[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]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+:30].[Na+:45].[Na+:49].[Na+:54]>>[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)[CH2:36][c:35]1[cH:34][c:33]([CH3:40])[c:32]([F:31])[cH:39][cH:38]1

Participants

12

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887Methanol2×HCID 923Sodium ion4×HCID 8857Ethyl AcetateHCID 498716Cyano-borohydride3×HCID 27348744-Fluoro-3-methylbenzaldehydeHCID 3826051MethoxideHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

Product 2

HCID 313Hydrochloric AcidHCID 441943721-[2-[4-[(4-Fluoro-3-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

Sources & evidence

ORD record
ord-aac2663e10b44138aec6a0d7f065ef43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…