Benzene → HCID 22922396, compound

HRID 682761Notes

Reaction equation

HRID 682761 reaction equation
[CH3:25][CH2:26][OH:27].[Fe:35].[OH2:28].[OH:1][CH:2]1[CH:3]([O:13][C:14]([c:15]2[cH:16][c:17]([N+:21]([O-:22])=[O:23])[cH:18][cH:19][cH:20]2)=[O:24])[CH:4]=[C:5]([CH3:12])[C:6](=[O:11])[CH2:7][C:8]1([CH3:9])[CH3:10].[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[OH:1][CH:2]1[CH:3]([O:13][C:14]([c:15]2[cH:16][c:17]([NH2:21])[cH:18][cH:19][cH:20]2)=[O:24])[CH:4]=[C:5]([CH3:12])[C:6](=[O:11])[CH2:7][C:8]1([CH3:9])[CH3:10]

Participants

6

Reactant 5

HCID 241BenzeneHCID 702EthanolHCID 962WaterHCID 23925IronHCID 22922453HCID 22922453, compound

Product 1

HCID 22922396HCID 22922396, compound

Sources & evidence

ORD record
ord-64506590979e4bc3be91f3324bc23878
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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