Acetic Acid → HCID 67560545, compound

HRID 176266Notes

Reaction equation

HRID 176266 reaction equation
[BH4-:29].[CH3:25][C:26](=[O:27])[OH:28].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8]2=[N:9][N:10]=[C:11]([CH3:22])[CH2:12][c:13]3[c:14]2[cH:15][c:16]2[c:17]([cH:18]3)[O:19][CH2:20][O:21]2)[cH:23][cH:24]1.[Na+:30].[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:37]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[CH:7][C:8]2=[N:9][NH:10][CH:11]([CH3:22])[CH2:12][c:13]3[c:14]2[cH:15][c:16]2[c:17]([cH:18]3)[O:19][CH2:20][O:21]2)[cH:23][cH:24]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 962WaterHCID 19660Carbonate IonHCID 28123BorohydrideHCID 54362632HCID 54362632, compound

Product 1

HCID 67560545HCID 67560545, compound

Sources & evidence

ORD record
ord-3cfb5b32dc2445fe87837adc54ad5cc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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