Acetic Acid → HCID 18759314, compound

HRID 147276Notes

Reaction equation

HRID 147276 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][c:12]([O:13][c:14]2[c:15]([N+:34]([O-:35])=[O:36])[cH:16][c:17]([F:33])[c:18](-[n:20]3[c:21](=[O:32])[n:22]([CH3:31])[c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][c:25]3=[O:26])[cH:19]2)[cH:37][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][c:12]([O:13][c:14]2[c:15]([NH2:34])[cH:16][c:17]([F:33])[c:18](-[n:20]3[c:21](=[O:32])[n:22]([CH3:31])[c:23]([C:27]([F:28])([F:29])[F:30])[cH:24][c:25]3=[O:26])[cH:19]2)[cH:37][cH:38][cH:39]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 18759306HCID 18759306, compound

Product 1

HCID 18759314HCID 18759314, compound

Sources & evidence

ORD record
ord-1c3e6744b72c4153b4139be7623002e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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