Acetic Acid → HCID 59275126, compound

HRID 1147534Notes

Reaction equation

HRID 1147534 reaction equation
[C:45]([OH:46])(=[O:47])[CH3:48].[CH3:42][CH2:43][OH:44].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13](=[O:14])[NH:15][CH3:16])[cH:17][c:18](-[c:24]2[cH:25][c:26]([C:30]([NH:31][C:32]([CH3:33])([CH3:34])[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)=[O:41])[cH:27][cH:28][cH:29]2)[c:19]([N+:21]([O-:22])=[O:23])[cH:20]3)[cH:6][cH:7]1.[Fe:55]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13](=[O:14])[NH:15][CH3:16])[cH:17][c:18](-[c:24]2[cH:25][c:26]([C:30]([NH:31][C:32]([CH3:33])([CH3:34])[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)=[O:41])[cH:27][cH:28][cH:29]2)[c:19]([NH2:21])[cH:20]3)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 8857Ethyl AcetateHCID 23925IronHCID 59275559HCID 59275559, compound

Product 1

HCID 59275126HCID 59275126, compound

Sources & evidence

ORD record
ord-919445b2b9d649189598cec4271096b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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