Acetic Acid → HCID 13851172, compound

HRID 312153Notes

Reaction equation

HRID 312153 reaction equation
[CH3:40][CH2:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][n:18]3[c:19](=[S:32])[nH:20][c:21]4[cH:22][c:23]([N+:29](=[O:30])[O-:31])[cH:24][cH:25][c:26]4[c:27]3=[O:28])[CH2:12][CH2:13]2)[cH:33][cH:34]1.[K+:36].[OH-:35].[OH2:37].[OH:38][OH:39]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][n:18]3[c:19](=[O:35])[nH:20][c:21]4[cH:22][c:23]([N+:29](=[O:30])[O-:31])[cH:24][cH:25][c:26]4[c:27]3=[O:28])[CH2:12][CH2:13]2)[cH:33][cH:34]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 784Hydrogen PeroxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 13851171HCID 13851171, compound

Product 1

HCID 13851172HCID 13851172, compound

Sources & evidence

ORD record
ord-81ebe5dd43d743ac9f3215cde26b9210
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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