Acetone → 1,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-(trifluoromethyl)benzyloxy)phenyl)amino)propan-2-ol

HRID 120429Notes

Reaction equation

HRID 120429 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][C:49](=[O:50])[CH3:51].[Cs+:46].[Cs+:47].[F:1][C:2]([CH:3]([F:4])[F:5])([O:6][c:7]1[cH:8][c:9]([CH2:13][N:14]([c:15]2[cH:16][c:17]([OH:21])[cH:18][cH:19][cH:20]2)[CH2:22][CH:23]([C:24]([F:25])([F:26])[F:27])[OH:28])[cH:10][cH:11][cH:12]1)[F:29].[F:30][C:31]([c:32]1[cH:33][c:34]([CH2:35][Br:36])[cH:37][cH:38][cH:39]1)([F:40])[F:41]>>[F:1][C:2]([CH:3]([F:4])[F:5])([O:6][c:7]1[cH:8][c:9]([CH2:13][N:14]([c:15]2[cH:16][c:17]([O:21][CH2:35][c:34]3[cH:33][c:32]([C:31]([F:30])([F:40])[F:41])[cH:39][cH:38][cH:37]3)[cH:18][cH:19][cH:20]2)[CH2:22][CH:23]([C:24]([F:25])([F:26])[F:27])[OH:28])[cH:10][cH:11][cH:12]1)[F:29]

Participants

6

Reactant 5

HCID 180AcetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 1230611-(Bromomethyl)-3-(trifluoromethyl)benzeneHCID 109280693-[[[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]methyl](3,3,3-trifluoro-2-hydroxypropyl)amino]phenol

Product 1

HCID 99163921,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(3-(trifluoromethyl)benzyloxy)phenyl)amino)propan-2-ol

Sources & evidence

ORD record
ord-662616d78a744a16988b38806fe6d8b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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