Sodium ion → 2-[(1-Ethyl-1,2,3,4-tetrahydro-1-naphthalenyl)methyl]-3,3,3-trifluoro-1,2-propanediol

HRID 119955Notes

Reaction equation

HRID 119955 reaction equation
[C:27]([OH:28])([CH3:29])([CH3:30])[CH3:31].[CH2:1]([CH3:2])[C:3]1([CH2:13][C:14](=[CH2:15])[C:16]([F:17])([F:18])[F:19])[CH2:4][CH2:5][CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21.[Na+:24].[Na+:25].[OH2:26].[S:20](=[O:21])([O-:22])[O-:23]>>[CH2:1]([CH3:2])[C:3]1([CH2:13][C:14]([CH2:15][OH:26])([C:16]([F:17])([F:18])[F:19])[OH:21])[CH2:4][CH2:5][CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 962WaterHCID 1099SulfiteHCID 6386tert-ButanolHCID 116014351-Ethyl-1-[2-(trifluoromethyl)-2-propen-1-yl]-1,2,3,4-tetrahydronaphthalene

Product 1

HCID 247491522-[(1-Ethyl-1,2,3,4-tetrahydro-1-naphthalenyl)methyl]-3,3,3-trifluoro-1,2-propanediol

Sources & evidence

ORD record
ord-a71d95260cb144b19cec852f18872421
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…