Acetic Acid → Hydrochloric Acid

HRID 1134140Notes

Reaction equation

HRID 1134140 reaction equation
[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[C:49](=[O:50])([OH:51])[O-:52].[CH3:1][n:2]1[n:3][cH:4][c:5]([CH:7]=[O:8])[cH:6]1.[CH3:54][OH:55].[CH3:56][C:57](=[O:58])[OH:59].[Cl-:43].[Cl:45][CH:46]([Cl:47])[CH3:48].[F:9][c:10]1[c:11](-[c:17]2[c:18]([N:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[n:19][cH:20][cH:21][cH:22]2)[cH:12][c:13]([F:16])[cH:14][cH:15]1.[NH4+:44].[Na+:42].[Na+:53]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([CH2:7][N:26]2[CH2:25][CH2:24][N:23]([c:18]3[c:17](-[c:11]4[c:10]([F:9])[cH:15][cH:14][c:13]([F:16])[cH:12]4)[cH:22][cH:21][cH:20][n:19]3)[CH2:28][CH2:27]2)[cH:6]1.[ClH:43]

Participants

12

Reactant 10

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 5731171-Methyl-1H-pyrazole-4-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 68594753HCID 68594753, compound

Product 2

HCID 313Hydrochloric AcidHCID 59321874HCID 59321874, compound

Sources & evidence

ORD record
ord-c92a0cab4316411fa6bf5c0ab869bb2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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