Sodium ion → 4-[4-(Benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol

HRID 190220Notes

Reaction equation

HRID 190220 reaction equation
[CH3:2][O:3][CH2:4][CH2:5][O:6][Al+:7][O:8][CH2:9][CH2:10][O:11][CH3:12].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[H-:14].[H-:1].[Na+:13].[c:15]1([S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([C:30]#[C:31][C:32]([C:33]([F:34])([F:35])[F:36])([CH3:37])[OH:38])[cH:28][cH:29]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[c:15]1([S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([CH:30]=[CH:31][C:32]([C:33]([F:34])([F:35])[F:36])([CH3:37])[OH:38])[cH:28][cH:29]2)[cH:16][cH:17][cH:18][cH:19][cH:20]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 3283Diethyl EtherHCID 166653Hydride2×HCID 18764105Bis(2-methoxyethoxy)alumanyliumHCID 199393031-(4-Phenylsulfonylphenyl)-3-hydroxy-3-methyl-4,4,4-trifluorobut-1-yne

Product 1

HCID 540240444-[4-(Benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-methylbut-3-en-2-ol

Sources & evidence

ORD record
ord-0cdc9aef8b844717b85a237f42bc5859
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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