Acetic Acid → HCID 178481224, compound

HRID 2348881Notes

Reaction equation

HRID 2348881 reaction equation
[CH3:38][C:39](=[O:40])[OH:41].[CH3:45][OH:46].[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:19]3[CH2:20][CH:21]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:22][CH2:23][CH2:24]3)[c:7]([C:17]#[N:18])[c:8]3[nH:9][c:10](=[S:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:33][c:34]([F:37])[cH:35][cH:36]1.[OH2:42].[OH:43][OH:44]>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:19]3[CH2:20][CH:21]([NH:25][C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:22][CH2:23][CH2:24]3)[c:7]([C:17]#[N:18])[c:8]3[n:9][cH:10][n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:33][c:34]([F:37])[cH:35][cH:36]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 887MethanolHCID 962WaterHCID 178481680HCID 178481680, compound

Product 1

HCID 178481224HCID 178481224, compound

Sources & evidence

ORD record
ord-168a6a8674df4744b39d22221c54f098
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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