Acetic Acid → HCID 178489955, compound

HRID 2130765Notes

Reaction equation

HRID 2130765 reaction equation
[CH3:47][C:48](=[O:49])[OH:50].[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([S:11](=[O:12])(=[O:13])[c:14]1[c:15]([O:23][CH3:24])[cH:16][c:17]([N+:20]([O-:21])=[O:22])[cH:18][cH:19]1)[C:6](=[O:25])[C:5]2([c:26]1[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([CH3:32])[cH:31]1)[N:35]1[CH:36]([C:37](=[O:38])[N:39]([CH3:40])[CH3:41])[CH2:42][CH:43]([OH:45])[CH2:44]1.[Fe:51].[OH2:46]>>[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([S:11](=[O:12])(=[O:13])[c:14]1[c:15]([O:23][CH3:24])[cH:16][c:17]([NH2:20])[cH:18][cH:19]1)[C:6](=[O:25])[C:5]2([c:26]1[c:27]([O:33][CH3:34])[cH:28][cH:29][c:30]([CH3:32])[cH:31]1)[N:35]1[CH:36]([C:37](=[O:38])[N:39]([CH3:40])[CH3:41])[CH2:42][CH:43]([OH:45])[CH2:44]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 178489956HCID 178489956, compound

Product 1

HCID 178489955HCID 178489955, compound

Sources & evidence

ORD record
ord-43ade8dcec904e729421a6f74ab6d38f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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