Acetic Acid → HCID 18619240, compound

HRID 156373Notes

Reaction equation

HRID 156373 reaction equation
[CH3:40][C:41](=[O:42])[OH:43].[F:2][c:3]1[cH:4][c:5]([N+:37]([O-:38])=[O:39])[c:6]([O:7][c:8]2[c:9]([O:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[n:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)[cH:22][c:23]1-[n:24]1[c:25](=[O:36])[n:26]([CH3:35])[c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][c:29]1=[O:30].[Fe:44].[OH2:1]>>[F:2][c:3]1[cH:4][c:5]([NH2:37])[c:6]([O:7][c:8]2[c:9]([O:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[n:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)[cH:22][c:23]1-[n:24]1[c:25](=[O:36])[n:26]([CH3:35])[c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][c:29]1=[O:30]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 18619217HCID 18619217, compound

Product 1

HCID 18619240HCID 18619240, compound

Sources & evidence

ORD record
ord-8634d165fadb49ee98570d1a1fbe0e80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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