Acetic Acid → HCID 57231206, compound

HRID 685871Notes

Reaction equation

HRID 685871 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8]([N+:17]([O-:15])=[O:18])[c:9]([S:11][CH:12]([C:13](=[O:14])[OH:19])[CH3:16])[cH:10]2)[c:20]([F:28])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1.[Fe:33]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[cH:6][cH:7][c:8]3[c:9]([cH:10]2)[S:11][CH:12]([CH3:16])[C:13](=[O:14])[NH:17]3)[c:20]([F:28])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 23925IronHCID 19880767HCID 19880767, compound

Product 1

HCID 57231206HCID 57231206, compound

Sources & evidence

ORD record
ord-106aa43be5ab4b2f97fe9ac264e00ac9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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