Acetic Acid → HCID 69301150, compound

HRID 293195Notes

Reaction equation

HRID 293195 reaction equation
[CH2:5]([CH3:6])[O:7][C:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([CH2:17][n:18]2[c:19](=[O:34])[c:20](-[c:25]3[cH:26][cH:27][c:28]([N+:31]([O-:32])=[O:33])[cH:29][cH:30]3)[cH:21][c:22]([Cl:24])[cH:23]2)[cH:15][cH:16]1)=[O:35].[CH3:1][C:2](=[O:3])[OH:4].[CH3:36][CH2:37][OH:38].[Fe:40].[OH2:39]>>[CH2:5]([CH3:6])[O:7][C:8]([CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([CH2:17][n:18]2[c:19](=[O:34])[c:20](-[c:25]3[cH:26][cH:27][c:28]([NH2:31])[cH:29][cH:30]3)[cH:21][c:22]([Cl:24])[cH:23]2)[cH:15][cH:16]1)=[O:35]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 69300079HCID 69300079, compound

Product 1

HCID 69301150HCID 69301150, compound

Sources & evidence

ORD record
ord-27af978a648d4ee48757bcf2e060ca47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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