Acetic Acid → HCID 67145756, compound

HRID 2343235Notes

Reaction equation

HRID 2343235 reaction equation
[CH3:44][C:45](=[O:46])[OH:47].[CH:1]1([S:4][c:5]2[cH:6][cH:7][c:8]([C:11](=[CH:12][CH2:13][O:14][c:15]3[cH:16][c:17]([CH3:26])[c:18]([O:19][CH2:20][C:21](=[O:22])[OH:23])[cH:24][cH:25]3)[c:27]3[cH:28][cH:29][c:30]([C:33]#[C:34][CH2:35][N:36]4[CH2:37][CH2:38][O:39][CH2:40][CH2:41]4)[cH:31][cH:32]3)[cH:9][cH:10]2)[CH2:2][CH2:3]1.[OH2:48].[OH:42][OH:43]>>[CH:1]1([S:4]([c:5]2[cH:6][cH:7][c:8]([C:11](=[CH:12][CH2:13][O:14][c:15]3[cH:16][c:17]([CH3:26])[c:18]([O:19][CH2:20][C:21](=[O:22])[OH:23])[cH:24][cH:25]3)[c:27]3[cH:28][cH:29][c:30]([C:33]#[C:34][CH2:35][N:36]4[CH2:37][CH2:38][O:39][CH2:40][CH2:41]4)[cH:31][cH:32]3)[cH:9][cH:10]2)=[O:42])[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 962WaterHCID 67145913HCID 67145913, compound

Product 1

HCID 67145756HCID 67145756, compound

Sources & evidence

ORD record
ord-28bd6ac9f15b44c58ff88ddbebac8500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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