Acetic Acid → HCID 69214859, compound

HRID 148084Notes

Reaction equation

HRID 148084 reaction equation
[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[C:40](=[O:41])([OH:42])[O-:43].[CH2:24]=[O:25].[CH3:1][NH:2][c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[C:10](=[CH:13][C:14](=[O:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:9][C:8]([CH3:22])([CH3:23])[CH2:7]2.[CH3:50][C:51](=[O:52])[OH:53].[Na+:39].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[C:10](=[CH:13][C:14](=[O:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:9][C:8]([CH3:22])([CH3:23])[CH2:7]2)[CH3:26]

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 69215255HCID 69215255, compound

Product 1

HCID 69214859HCID 69214859, compound

Sources & evidence

ORD record
ord-f2097436290c4a9299813664eb671607
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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