Acetic Acid → HCID 12832297, compound

HRID 285923Notes

Reaction equation

HRID 285923 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([S:22][c:23]3[c:24]([N+:29]([O-:30])=[O:31])[cH:25][cH:26][cH:27][cH:28]3)[nH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:7][cH:8]1.[CH3:33][C:34]([OH:35])=[O:36].[CH3:37][C:38]([O:39][C:40](=[O:41])[CH3:42])=[O:43].[Fe:44].[OH2:32]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([S:22][c:23]3[c:24]([NH:29][C:34]([CH3:33])=[O:35])[cH:25][cH:26][cH:27][cH:28]3)[nH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 7918Acetic AnhydrideHCID 23925IronHCID 12832296HCID 12832296, compound

Product 1

HCID 12832297HCID 12832297, compound

Sources & evidence

ORD record
ord-03f8c91bea8e420bb1415934d45453dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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