Methane → 4-{(1RS,2SR)-2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl}phenol

Reaction equation

[C:36].[CH3:33][CH2:34][OH:35].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10]1)[CH2:19][c:20]1[cH:21][c:22]([O:26][C:27]([CH:28]([F:29])[F:30])([F:31])[F:32])[cH:23][cH:24][cH:25]1.[Pd:37]>>[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[CH2:19][c:20]1[cH:21][c:22]([O:26][C:27]([CH:28]([F:29])[F:30])([F:31])[F:32])[cH:23][cH:24][cH:25]1

Participants

Reactant 4

HCID 297Methane

HCID 702Ethanol

HCID 23938Palladium

HCID 22261439(1RS,2SR)-2-amino-1-[4-(benzyloxy)phenyl]-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol

Product 1

HCID 222620024-{(1RS,2SR)-2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl}phenol

Sources & evidence

ORD record: ord-a9ab88f7e5b1426bb5784b73877dfe8c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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