Acetic Acid → Hydrochloric Acid

HRID 1124142Notes

Reaction equation

HRID 1124142 reaction equation
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:16][CH:17]3[C:18](=[O:32])[N:19]([c:22]4[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]4)[CH2:20][CH2:21]3)[cH:33][cH:34][cH:35][cH:36]2)[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[C:65](=[O:66])([OH:67])[O-:68].[CH2:38]=[O:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[ClH:37].[Na+:57].[Na+:69].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH2:58]>>[CH3:6][N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([O:16][CH:17]3[C:18](=[O:32])[N:19]([c:22]4[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]4)[CH2:20][CH2:21]3)[cH:33][cH:34][cH:35][cH:36]2)[CH2:12][CH2:13]1.[ClH:37]

Participants

12

Reactant 10

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 21963144HCID 21963144, compound

Product 2

HCID 313Hydrochloric AcidHCID 11304683HCID 11304683, compound

Sources & evidence

ORD record
ord-68f34cc6522343fda8dbbeb24caa78ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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