Acetic Acid → HCID 54460378, compound

HRID 196687Notes

Reaction equation

HRID 196687 reaction equation
[BH4-:24].[C:30](=[O:31])([O-:32])[OH:33].[CH3:26][C:27](=[O:28])[OH:29].[CH3:35][CH2:36][OH:37].[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:21]([CH3:22])[CH3:23])[n:12][c:13]([CH2:16][O:17][CH2:18][CH:19]=[O:20])[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1.[Na+:25].[Na+:34]>>[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:21]([CH3:22])[CH3:23])[n:12][c:13]([CH2:16][O:17][CH2:18][CH2:19][OH:20])[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 28123BorohydrideHCID 54509160HCID 54509160, compound

Product 1

HCID 54460378HCID 54460378, compound

Sources & evidence

ORD record
ord-ba7643f3dd2d45c48aecb24589eec4af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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