Acetic Acid → HCID 68958075, compound

HRID 141552Notes

Reaction equation

HRID 141552 reaction equation
[CH2:3]([CH3:4])[O:5][C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])=[CH:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([N:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23][cH:24]2)[cH:17][cH:18]1.[CH3:35][C:36](=[O:37])[OH:38].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Li+:1].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:2].[OH2:39]>>[CH2:3]([CH3:4])[O:5][C:6]([C:7](=[O:8])[OH:9])=[CH:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([N:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23][cH:24]2)[cH:17][cH:18]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 91513019HCID 91513019, compound

Product 1

HCID 68958075HCID 68958075, compound

Sources & evidence

ORD record
ord-5c97c4928d5745649bd0feee32a70387
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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