Acetic Acid → HCID 14578922, compound

HRID 119344Notes

Reaction equation

HRID 119344 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[S:8][CH2:9][CH2:10][c:11]1[c:12]-2[n:13][n:14](-[c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:15](=[O:17])[cH:16]1.[OH2:27].[OH:25][OH:26]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[S:8](=[O:25])[CH2:9][CH2:10][c:11]1[c:12]-2[n:13][n:14](-[c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:15](=[O:17])[cH:16]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 962WaterHCID 14578897HCID 14578897, compound

Product 1

HCID 14578922HCID 14578922, compound

Sources & evidence

ORD record
ord-98a40eb785a0445d916391a27b4d8df7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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