Acetic Acid → HCID 18989579, compound

HRID 164993Notes

Reaction equation

HRID 164993 reaction equation
[CH3:1][c:2]1[c:3]([CH2:14][CH2:15][O:16][c:17]2[n:18][cH:19][c:20]([N+:23]([O-:24])=[O:25])[cH:21][cH:22]2)[n:4][c:5](-[c:7]2[c:8]([Cl:13])[cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:26][C:27](=[O:28])[OH:29].[Fe:30].[OH2:31]>>[CH3:1][c:2]1[c:3]([CH2:14][CH2:15][O:16][c:17]2[n:18][cH:19][c:20]([NH2:23])[cH:21][cH:22]2)[n:4][c:5](-[c:7]2[c:8]([Cl:13])[cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 18989556HCID 18989556, compound

Product 1

HCID 18989579HCID 18989579, compound

Sources & evidence

ORD record
ord-3475121abaca4a499e0b4b5fc6e6288d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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