Acetic Acid → HCID 178464652, compound

HRID 314277Notes

Reaction equation

HRID 314277 reaction equation
[CH3:1][C:2]1([CH3:24])[CH:3]=[N:4][N:5]([C:7](=[N:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([N+:18]([O-:19])=[O:20])[cH:15][cH:16][cH:17]2)[NH:21][CH2:22][CH3:23])[CH2:6]1.[CH3:25][C:26](=[O:27])[OH:28].[CH3:29][CH2:30][OH:31].[Fe:33].[OH2:32]>>[CH3:1][C:2]1([CH3:24])[CH:3]=[N:4][N:5]([C:7](=[N:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([NH2:18])[cH:15][cH:16][cH:17]2)[NH:21][CH2:22][CH3:23])[CH2:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 178464654HCID 178464654, compound

Product 1

HCID 178464652HCID 178464652, compound

Sources & evidence

ORD record
ord-7403a71b357e45d6a3bb0daf59501f90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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