Acetic Acid → HCID 10162091, compound

HRID 698824Notes

Reaction equation

HRID 698824 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[F:1][c:2]1[cH:3][cH:4][c:5]([N+:33]([O-:34])=[O:35])[c:6]([C:8]([CH2:9][C:10]([C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]3[c:18]([c:19]([CH3:24])[n:20][o:21][c:22]3=[O:23])[cH:25]2)([C:26]([F:27])([F:28])[F:29])[OH:30])([CH3:31])[CH3:32])[cH:7]1.[Fe:45].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH2:33])[c:6]([C:8]([CH2:9][C:10]([C:11](=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]3[c:18]([c:19]([CH3:24])[n:20][o:21][c:22]3=[O:23])[cH:25]2)([C:26]([F:27])([F:28])[F:29])[OH:30])([CH3:31])[CH3:32])[cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 23925IronHCID 21908377HCID 21908377, compound

Product 1

HCID 10162091HCID 10162091, compound

Sources & evidence

ORD record
ord-63079b06c086414f9d532a8c67e20ff9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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