Acetic Acid → HCID 86642713, compound

HRID 687302Notes

Reaction equation

HRID 687302 reaction equation
[CH2:4]([CH2:5][CH2:6][CH3:7])[S:8](=[O:9])(=[O:10])[O:11][c:12]1[c:13]([O:38][CH3:39])[cH:14][c:15]([CH2:18][CH2:19][CH2:20][c:21]2[c:22]([O:33][CH2:34][CH:35]3[CH2:36][CH2:37]3)[cH:23][c:24]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:25][cH:26]2)[cH:16][cH:17]1.[CH3:41][C:42](=[O:43])[OH:44].[CH3:46][OH:47].[Li+:3].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:2].[OH2:1].[OH2:40].[OH2:45]>>[CH2:4]([CH2:5][CH2:6][CH3:7])[S:8](=[O:9])(=[O:10])[O:11][c:12]1[c:13]([O:38][CH3:39])[cH:14][c:15]([CH2:18][CH2:19][CH2:20][c:21]2[c:22]([O:33][CH2:34][CH:35]3[CH2:36][CH2:37]3)[cH:23][c:24]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[cH:25][cH:26]2)[cH:16][cH:17]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 961HydroxideHCID 962Water3×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 86642714HCID 86642714, compound

Product 1

HCID 86642713HCID 86642713, compound

Sources & evidence

ORD record
ord-b11adfdffe6c4eabb87a86891d3c182e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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