Acetic Acid → HCID 86654464, compound

HRID 698197Notes

Reaction equation

HRID 698197 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[Cl:5][c:6]1[cH:7][c:8]([C:13]2([C:31]([F:32])([F:33])[F:34])[CH2:14][C:15]([c:18]3[cH:19][c:20]([O:27][CH:28]([F:29])[F:30])[c:21]([N+:24]([O-:25])=[O:26])[cH:22][cH:23]3)=[N:16][O:17]2)[cH:9][c:10]([Cl:12])[cH:11]1.[Fe:42].[OH2:35]>>[Cl:5][c:6]1[cH:7][c:8]([C:13]2([C:31]([F:32])([F:33])[F:34])[CH2:14][C:15]([c:18]3[cH:19][c:20]([O:27][CH:28]([F:29])[F:30])[c:21]([NH2:24])[cH:22][cH:23]3)=[N:16][O:17]2)[cH:9][c:10]([Cl:12])[cH:11]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8857Ethyl AcetateHCID 23925IronHCID 86654463HCID 86654463, compound

Product 1

HCID 86654464HCID 86654464, compound

Sources & evidence

ORD record
ord-448c495c87ff4bfb89ce00427a420d73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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