Acetaldehyde → Hydrochloric Acid

HRID 165102Notes

Reaction equation

HRID 165102 reaction equation
[C:33](=[O:34])([O-:35])[OH:36].[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:38]([CH3:39])=[O:40].[ClH:1].[Na+:37].[Na+:54].[O:2]=[C:3]1[O:4][C:5]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH:6]2[N:7]1[CH2:8][CH2:9][N:10]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][NH:17][CH2:18][CH:19]=[CH2:20])[CH2:11]2>>[ClH:1].[O:2]=[C:3]1[O:4][C:5]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH:6]2[N:7]1[CH2:8][CH2:9][N:10]([C:12](=[O:13])[NH:14][CH2:15][CH2:16][N:17]([CH2:18][CH:19]=[CH2:20])[CH2:38][CH3:39])[CH2:11]2

Participants

9

Reactant 7

HCID 177AcetaldehydeHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 2724942TriacetoxyborohydrideHCID 23121876HCID 23121876, compound

Product 2

HCID 313Hydrochloric AcidHCID 23121873HCID 23121873, compound

Sources & evidence

ORD record
ord-378a17d66a0c45b28d5f3feba62e7a20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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