Acetate → 4-Nitrobenzoic Acid

HRID 678406Notes

Reaction equation

HRID 678406 reaction equation
[C:19](=[O:20])=[O:21].[C:30]([O-:31])(=[O:32])[CH3:33].[C:35]([O-:36])(=[O:37])[CH3:38].[CH3:22][C:23](=[O:24])[OH:25].[Co+2:34].[N+:9](=[O:10])([O-:11])[c:12]1[cH:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]1.[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8]>>[N+:9](=[O:10])([O-:11])[c:12]1[cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[cH:16][cH:17]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 176Acetic AcidHCID 280Carbon DioxideHCID 962Water4×HCID 74734-NitrotolueneHCID 80170N-HydroxysuccinimideHCID 104729Cobalt(2+)

Product 1

HCID 61084-Nitrobenzoic Acid

Sources & evidence

ORD record
ord-9c5d76c1b859407b880868d4a8573d97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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