Acetic Acid → HCID 67293310, compound

HRID 162145Notes

Reaction equation

HRID 162145 reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[C:50]([OH:51])([CH3:52])([CH3:53])[CH3:54].[CH3:23][C:24](=[CH:25][CH3:26])[CH3:27].[CH3:38][Si:39]([CH:40]=[N+:41]=[N-:42])([CH3:43])[CH3:44].[Cl+:34]([O-:35])[O-:36].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([CH:21]=[O:22])[n:9][n:10]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[c:11]2[cH:12]1.[Na+:33].[Na+:37].[OH2:49].[P:28]([O-:29])([OH:30])([OH:31])=[O:32]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([C:21](=[O:22])[O:47][CH3:45])[n:9][n:10]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[c:11]2[cH:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 6386tert-ButanolHCID 105532-Methyl-2-buteneHCID 167693TrimethylsilyldiazomethaneHCID 197148ChloriteHCID 86665092HCID 86665092, compound

Product 1

HCID 67293310HCID 67293310, compound

Sources & evidence

ORD record
ord-6557cd38146f435f88e9f32fb89c73e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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