Acetic Acid → HCID 178475292, compound

HRID 286548Notes

Reaction equation

HRID 286548 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2([OH:32])[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[CH3:22])[C:23]4([CH3:31])[CH2:24][CH2:25][CH:26]3[C:27]2([CH3:30])[CH2:28][CH2:29]1.[C:39]([O:40][OH:41])(=[O:42])[CH3:43].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:44][C:45](=[O:46])[OH:47]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2([OH:32])[CH2:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH2:13][CH:14]([CH:15]([CH2:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[OH:35])[CH3:22])[C:23]4([CH3:31])[CH2:24][CH2:25][CH:26]3[C:27]2([CH3:30])[CH2:28][CH2:29]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6585Peracetic AcidHCID 8857Ethyl AcetateHCID 541278HCID 541278, compound

Product 1

HCID 178475292HCID 178475292, compound

Sources & evidence

ORD record
ord-c39eade1cf1141e694b92372617f8007
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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