Acetic Acid → HCID 54481740, compound

HRID 1146531Notes

Reaction equation

HRID 1146531 reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[Fe:32].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[C:9]([CH3:10])[c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[C:17]([CH3:21])([CH3:22])[CH2:16][CH2:15][C:14]3([CH3:23])[CH3:24])[cH:25][cH:26]1.[OH2:31]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH:8]=[C:9]([CH3:10])[c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[C:17]([CH3:21])([CH3:22])[CH2:16][CH2:15][C:14]3([CH3:23])[CH3:24])[cH:25][cH:26]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 54130317HCID 54130317, compound

Product 1

HCID 54481740HCID 54481740, compound

Sources & evidence

ORD record
ord-b21e8b90e3db4107aeebab8153787504
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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