Acetic Acid → HCID 44474166, compound

HRID 1130820Notes

Reaction equation

HRID 1130820 reaction equation
[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:37][CH2:38][OH:39].[CH3:40][C:41](=[O:42])[OH:43].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]3[n:14][c:15]([O:20][CH3:21])[cH:16][cH:17][c:18]3[n:19]2)[c:22]2[cH:23][cH:24][c:25]([N+:28]([O-:29])=[O:30])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Fe:44]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[s:12][c:13]3[n:14][c:15]([O:20][CH3:21])[cH:16][cH:17][c:18]3[n:19]2)[c:22]2[cH:23][cH:24][c:25]([NH2:28])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 8058HexaneHCID 23925IronHCID 44474165HCID 44474165, compound

Product 1

HCID 44474166HCID 44474166, compound

Sources & evidence

ORD record
ord-3932dffd1d5c4e169cd483175365c031
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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