Acetic Acid → HCID 66990706, compound

HRID 211871Notes

Reaction equation

HRID 211871 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][c:14]2[c:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:26]2)[cH:33][c:34]([N+:37]([O-:38])=[O:39])[cH:35][cH:36]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:51][OH:52].[CH3:53][C:54](=[O:55])[OH:56].[Fe:57].[Na+:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][c:14]2[c:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23][cH:24][c:25](-[c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:26]2)[cH:33][c:34]([NH2:37])[cH:35][cH:36]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 23925IronHCID 66990211HCID 66990211, compound

Product 1

HCID 66990706HCID 66990706, compound

Sources & evidence

ORD record
ord-047ad6260fe849ba9ba3371910ae93e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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