Acetone → Benzoic Acid

HRID 2141063Notes

Reaction equation

HRID 2141063 reaction equation
[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:45][C:46](=[O:47])[CH3:48].[OH2:44].[c:1]1([C:10]([OH:11])=[O:12])[c:2]([C:7](=[O:8])[OH:9])[cH:3][cH:4][cH:5][cH:6]1.[c:27]1([P:28]([N:29]=[N+:30]=[N-:31])([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[cH:1]1[c:2]([C:7](=[O:8])[OH:9])[cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 962WaterHCID 1017Phthalic AcidHCID 1140TolueneHCID 8471TriethylamineHCID 199401P,P-Diphenylphosphinic azide

Product 1

HCID 243Benzoic Acid

Sources & evidence

ORD record
ord-adf468328c55450cbd1cca3e112c1b97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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