Acetic Acid → Hydrochloric Acid

HRID 1565501Notes

Reaction equation

HRID 1565501 reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[C:51](=[O:52])([OH:53])[O-:54].[CH2:21]([CH3:22])[n:23]1[n:24][c:25]([CH3:30])[c:26]([CH:28]=[O:29])[cH:27]1.[CH3:56][OH:57].[CH3:58][C:59](=[O:60])[OH:61].[Cl-:45].[Cl:47][CH:48]([Cl:49])[CH3:50].[N:1]1([c:7]2[n:8][cH:9][cH:10][n:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([CH2:19][OH:20])[cH:17][cH:18]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[NH4+:46].[Na+:44].[Na+:55]>>[ClH:45].[N:1]1([c:7]2[n:8][cH:9][cH:10][n:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([CH2:19][OH:20])[cH:17][cH:18]2)[CH2:2][CH2:3][N:4]([CH2:28][c:26]2[c:25]([CH3:30])[n:24][n:23]([CH2:21][CH3:22])[cH:27]2)[CH2:5][CH2:6]1

Participants

12

Reactant 10

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 5732031-Ethyl-3-methyl-1H-pyrazole-4-carbaldehydeHCID 2724942TriacetoxyborohydrideHCID 68594908[4-(3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl-3'-yl)-phenyl]-methanol

Product 2

HCID 313Hydrochloric AcidHCID 59321990[4-[3-[4-[(1-Ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol

Sources & evidence

ORD record
ord-e41bb2aae9604cebae383b703f20cc9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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