Acetic Acid → HCID 59275241, compound

HRID 1211846Notes

Reaction equation

HRID 1211846 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10](-[c:14]2[c:15]([N+:35]([O-:36])=[O:37])[cH:16][c:17]3[c:18]([c:19]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:20](-[c:22]4[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]4)[o:21]3)[cH:34]2)[cH:11][cH:12][cH:13]1.[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:38][CH2:39][OH:40].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Fe:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][c:10](-[c:14]2[c:15]([NH2:35])[cH:16][c:17]3[c:18]([c:19]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[c:20](-[c:22]4[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]4)[o:21]3)[cH:34]2)[cH:11][cH:12][cH:13]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 8857Ethyl AcetateHCID 23925IronHCID 59275665HCID 59275665, compound

Product 1

HCID 59275241HCID 59275241, compound

Sources & evidence

ORD record
ord-fbbdf527a3a74ba6aba1aa6d129c04f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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