Acetic Acid → HCID 59163334, compound

HRID 2310013Notes

Reaction equation

HRID 2310013 reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[CH3:30][CH2:31][OH:32].[Cl:1][c:2]1[c:3]([C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:18][cH:19]2)[cH:4][c:5]([N+:8]([O-:9])=[O:10])[cH:6][cH:7]1.[Fe:33]>>[Cl:1][c:2]1[c:3]([C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:18][cH:19]2)[cH:4][c:5]([NH2:8])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 23925IronHCID 59163380HCID 59163380, compound

Product 1

HCID 59163334HCID 59163334, compound

Sources & evidence

ORD record
ord-e755ce5e7a904feab81b94635ad75431
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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