Acetic Acid → HCID 178481656, compound

HRID 169067Notes

Reaction equation

HRID 169067 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:20]3[CH2:21][CH:22]([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:23][CH2:24][CH2:25]3)[c:7]([C:18]#[N:19])[c:8]3[n:9][c:10]([S:16][CH3:17])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:34][cH:35][cH:36][cH:37]1.[OH2:42].[OH:43][OH:44]>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:20]3[CH2:21][CH:22]([NH:26][C:27]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:23][CH2:24][CH2:25]3)[c:7]([C:18]#[N:19])[c:8]3[n:9][c:10]([S:16]([CH3:17])(=[O:42])=[O:43])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:34][cH:35][cH:36][cH:37]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 887MethanolHCID 962WaterHCID 178503355HCID 178503355, compound

Product 1

HCID 178481656HCID 178481656, compound

Sources & evidence

ORD record
ord-ea1741e29720495e91a63a3b71a5eeb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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