Acetonitrile → 3-[[3-(4-Fluorophenoxy)phenyl][[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol

HRID 1153225Notes

Reaction equation

HRID 1153225 reaction equation
[CH3:62][C:63]#[N:64].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][CH2:14][c:15]3[cH:16][c:17]([O:21][C:22]([CH:23]([F:24])[F:25])([F:26])[F:27])[cH:18][cH:19][cH:20]3)[cH:10][cH:11][cH:12]2)[cH:28][cH:29]1.[F:30][C:31]([CH:32]1[CH2:33][O:34]1)([F:35])[F:36].[F:37][C:38]([F:39])([F:40])[S:41]([O-:42])(=[O:43])=[O:44].[F:46][C:47]([F:48])([F:49])[S:50]([O-:51])(=[O:52])=[O:53].[F:54][C:55]([F:56])([F:57])[S:58]([O-:59])(=[O:60])=[O:61].[Yb+3:45]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([N:13]([CH2:14][c:15]3[cH:16][c:17]([O:21][C:22]([CH:23]([F:24])[F:25])([F:26])[F:27])[cH:18][cH:19][cH:20]3)[CH2:33][CH:32]([C:31]([F:30])([F:35])[F:36])[OH:34])[cH:10][cH:11][cH:12]2)[cH:28][cH:29]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 105055Ytterbium(3+)HCID 5207692-(Trifluoromethyl)oxiraneHCID 2758875Trifluoromethanesulfonate3×HCID 23505995N-[3-(4fluorophenoxy)phenyl][[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amine

Product 1

HCID 102298083-[[3-(4-Fluorophenoxy)phenyl][[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-2-propanol

Sources & evidence

ORD record
ord-555114af44ad4f5297772c854924f414
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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