Acetate → Acetophenone

HRID 2312469Notes

Reaction equation

HRID 2312469 reaction equation
[C:37]([O-:38])(=[O:39])[CH3:40].[C:42]([O-:43])(=[O:44])[CH3:45].[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[C:9]([O:10][N:12]1[C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]1=[O:22])(=[O:11])[CH3:23].[CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1.[CH3:59][C:60](=[O:61])[OH:62].[Co+2:41].[Mn+2:54].[OH2:33].[OH2:34].[OH2:35].[OH2:36].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH:24][C:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32]>>[CH3:1][C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)=[O:11]

Participants

9

Reactant 8

HCID 175Acetate4×HCID 176Acetic AcidHCID 243Benzoic AcidHCID 962Water8×HCID 7500EthylbenzeneHCID 27854Manganese(2+)HCID 104729Cobalt(2+)HCID 2655661,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate

Product 1

HCID 7410Acetophenone

Sources & evidence

ORD record
ord-60c55bf097c44c2c86b51f2ab8d8c7d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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