Acetic Acid → HCID 18759312, compound

HRID 309274Notes

Reaction equation

HRID 309274 reaction equation
[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][cH:12][c:13]([O:14][c:15]2[c:16]([N+:35]([O-:36])=[O:37])[cH:17][c:18]([F:34])[c:19](-[n:21]3[c:22](=[O:33])[n:23]([CH3:32])[c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][c:26]3=[O:27])[cH:20]2)[cH:38][cH:39]1.[CH3:40][C:41](=[O:42])[OH:43].[Fe:44].[OH2:1]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][cH:12][c:13]([O:14][c:15]2[c:16]([NH2:35])[cH:17][c:18]([F:34])[c:19](-[n:21]3[c:22](=[O:33])[n:23]([CH3:32])[c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][c:26]3=[O:27])[cH:20]2)[cH:38][cH:39]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 18759289HCID 18759289, compound

Product 1

HCID 18759312HCID 18759312, compound

Sources & evidence

ORD record
ord-2090deed28df428eae982583d8c76f41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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