Acetic Acid → HCID 21434143, compound

HRID 1217998Notes

Reaction equation

HRID 1217998 reaction equation
[CH3:39][C:40](=[O:41])[OH:42].[Cl:3][c:4]1[c:5]([NH:6][C:7]([c:8]2[c:9]([OH:10])[c:11]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:12][c:13]([S:16][c:17]3[c:18]([Cl:25])[cH:19][c:20]([Cl:24])[c:21]([Cl:23])[cH:22]3)[c:14]2[CH3:15])=[O:30])[cH:31][cH:32][c:33]([N+:35](=[O:36])[O-:37])[cH:34]1.[OH2:38].[OH:1][OH:2]>>[O:1]=[S:16]([c:13]1[cH:12][c:11]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:9]([OH:10])[c:8]([C:7]([NH:6][c:5]2[c:4]([Cl:3])[cH:34][c:33]([N+:35](=[O:36])[O-:37])[cH:32][cH:31]2)=[O:30])[c:14]1[CH3:15])[c:17]1[c:18]([Cl:25])[cH:19][c:20]([Cl:24])[c:21]([Cl:23])[cH:22]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 962WaterHCID 21434129HCID 21434129, compound

Product 1

HCID 21434143HCID 21434143, compound

Sources & evidence

ORD record
ord-46f625a16222491da84611c0a42acba1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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