Acetic Acid → HCID 25123287, compound

HRID 2337262Notes

Reaction equation

HRID 2337262 reaction equation
[CH2:4]([CH2:5][CH2:6][CH3:7])[S:8](=[O:9])(=[O:10])[O:11][c:12]1[c:13]([O:42][CH3:43])[cH:14][c:15]([CH2:18][CH2:19][CH2:20][c:21]2[c:22]([O:33][CH2:34][c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]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.[CH3:45][C:46](=[O:47])[OH:48].[CH3:50][OH:51].[Li+:3].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:2].[OH2:1].[OH2:44].[OH2:49]>>[CH2:4]([CH2:5][CH2:6][CH3:7])[S:8](=[O:9])(=[O:10])[O:11][c:12]1[c:13]([O:42][CH3:43])[cH:14][c:15]([CH2:18][CH2:19][CH2:20][c:21]2[c:22]([O:33][CH2:34][c:35]3[cH:36][c:37]([F:41])[cH:38][cH:39][cH:40]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 86642711HCID 86642711, compound

Product 1

HCID 25123287HCID 25123287, compound

Sources & evidence

ORD record
ord-33b2a9837daa47a0abe0900128e30154
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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