Acetic Acid → HCID 25113712, compound

HRID 161721Notes

Reaction equation

HRID 161721 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5](=[O:6])(=[O:7])[O:8][c:9]1[c:10]([O:35][CH3:36])[cH:11][c:12]([CH2:15][CH2:16][CH2:17][c:18]2[c:19]([O:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:20][c:21]([CH2:24][CH2:25][C:26](=[O:27])[O:28][CH3:29])[cH:22][cH:23]2)[cH:13][cH:14]1.[CH3:40][C:41](=[O:42])[OH:43].[Li+:37].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:38].[OH2:39]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[S:5](=[O:6])(=[O:7])[O:8][c:9]1[c:10]([O:35][CH3:36])[cH:11][c:12]([CH2:15][CH2:16][CH2:17][c:18]2[c:19]([O:30][CH2:31][CH2:32][CH2:33][CH3:34])[cH:20][c:21]([CH2:24][CH2:25][C:26](=[O:27])[OH:28])[cH:22][cH:23]2)[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 86642708HCID 86642708, compound

Product 1

HCID 25113712HCID 25113712, compound

Sources & evidence

ORD record
ord-9d6c38b0d293435f8df16ccd1790a39e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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