Ethanol → HCID 54174363, compound

HRID 136850Notes

Reaction equation

HRID 136850 reaction equation
[CH3:42][CH2:43][OH:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[F:3][c:4]1[cH:5][c:6]([C:10](=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:19])[CH2:17][CH2:16][OH:18])[c:20]2[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:24][cH:25]2)[cH:7][cH:8][cH:9]1.[Na+:2].[OH-:1].[OH2:41].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[F:3][c:4]1[cH:5][c:6]([C:10](=[C:11]2[C:12](=[O:13])[O:14][CH2:15][CH2:17]2)[c:20]2[cH:21][cH:22][c:23]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:24][cH:25]2)[cH:7][cH:8][cH:9]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 54386099HCID 54386099, compound

Product 1

HCID 54174363HCID 54174363, compound

Sources & evidence

ORD record
ord-76595afcac764114ae08c6a66a248772
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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