Acetic Acid → Hydrochloric Acid

HRID 315051Notes

Reaction equation

HRID 315051 reaction equation
[C:35]([BH3-:36])#[N:37].[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:27][C:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])=[O:34].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][OH:45].[ClH:1].[ClH:39].[NH2:2][CH:3]1[C:4](=[O:19])[N:5]([CH:14]([CH3:15])[C:16](=[O:17])[OH:18])[c:6]2[c:7]([cH:10][cH:11][cH:12][cH:13]2)[CH2:8][CH2:9]1.[Na+:38]>>[ClH:1].[NH:2]([CH:3]1[C:4](=[O:19])[N:5]([CH:14]([CH3:15])[C:16](=[O:17])[OH:18])[c:6]2[c:7]([cH:10][cH:11][cH:12][cH:13]2)[CH2:8][CH2:9]1)[CH:28]([CH2:27][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:29](=[O:30])[O:31][CH2:32][CH3:33]

Participants

9

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 562087Ethyl alpha-oxobenzenebutanoateHCID 13243542HCID 13243542, compound

Product 2

HCID 313Hydrochloric AcidHCID 13243540HCID 13243540, compound

Sources & evidence

ORD record
ord-a21497cd6a474dd4848995253fadedbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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