Ethanol → HCID 54501316, compound

HRID 168873Notes

Reaction equation

HRID 168873 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][c:7]1[c:8]([O:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][O:28][C:29](=[O:30])[CH3:31])[cH:9][cH:10][c:11]([O:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:12]1)=[O:32].[CH3:45][CH2:46][OH:47].[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][c:7]1[c:8]([O:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][OH:28])[cH:9][cH:10][c:11]([O:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:12]1)=[O:32]

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 54171091HCID 54171091, compound

Product 1

HCID 54501316HCID 54501316, compound

Sources & evidence

ORD record
ord-7b445e8727be4aee8b0dc6db55b2568c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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