Acetic Acid → HCID 19701935, compound

HRID 140733Notes

Reaction equation

HRID 140733 reaction equation
[CH3:24][C:25](=[O:26])[OH:27].[CH3:30][CH2:31][OH:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N+:21]([O-:22])=[O:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][c:13]3[c:14]([cH:15][cH:16]2)[O:17][CH2:18][O:19]3)[cH:20]1.[Fe:29].[OH2:28]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH2:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][c:13]3[c:14]([cH:15][cH:16]2)[O:17][CH2:18][O:19]3)[cH:20]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 898773HCID 898773, compound

Product 1

HCID 19701935HCID 19701935, compound

Sources & evidence

ORD record
ord-2d15ee85951b4229b8d89fe93979f476
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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