Acetic Acid → Hydrochloric Acid

HRID 106399Notes

Reaction equation

HRID 106399 reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:50](=[O:51])([O-:52])[OH:53].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH3:76][C:77](=[O:78])[OH:79].[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+:49].[Na+:54].[Na+:56].[OH-:55].[OH2:68].[n:24]1[c:25]([CH:34]=[O:35])[cH:26][n:27][c:28]2[c:33]1[CH2:32][CH2:31][CH2:30][CH2:29]2>>[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)[CH2:34][c:25]1[n:24][c:33]2[c:28]([n:27][cH:26]1)[CH2:29][CH2:30][CH2:31][CH2:32]2

Participants

14

Reactant 12

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 578151881-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-oneHCID 578154485,6,7,8-Tetrahydroquinoxaline-2-carbaldehyde

Product 2

HCID 313Hydrochloric AcidHCID 578154527-Methoxy-1-[2-[4-(5,6,7,8-tetrahydroquinoxalin-2-ylmethylamino)piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

Sources & evidence

ORD record
ord-f478823d96894ed49ad4ed53fc8e48f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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