Acetic Acid → HCID 12035121, compound

HRID 681407Notes

Reaction equation

HRID 681407 reaction equation
[BH4-:25].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH:15]=[CH:16][N+:17](=[O:18])[O-:19])[c:9]3[n:14]2[CH2:13][CH2:12][CH2:11][O:10]3)[n:20]1.[CH3:27][C:28](=[O:29])[OH:30].[CH:21]([Cl:22])([Cl:23])[Cl:24].[CH:31]([OH:32])([CH3:33])[CH3:34].[Na+:26]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH2:15][CH2:16][N+:17](=[O:18])[O-:19])[c:9]3[n:14]2[CH2:13][CH2:12][CH2:11][O:10]3)[n:20]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 3776IsopropanolHCID 6212ChloroformHCID 28123BorohydrideHCID 69417908HCID 69417908, compound

Product 1

HCID 12035121HCID 12035121, compound

Sources & evidence

ORD record
ord-f995d3c8cff64c008d77747c5d12391d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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