Acetonitrile → Methyl 3-[1-(difluoromethoxy)propan-2-yloxy]-5-phenylmethoxybenzoate

Reaction equation

[CH3:34][C:35]#[N:36].[Cu:37][I:38].[F:1][S:2]([C:5]([C:3]([OH:4])=[O:6])([F:9])[F:10])(=[O:7])=[O:8].[OH:11][CH2:12][CH:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][c:24]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:25]1>>[CH:5]([F:9])([F:10])[O:11][CH2:12][CH:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][c:24]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:25]1

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

HCID 27375162,2-Difluoro-2-(fluorosulfonyl)acetic acid

HCID 72524154Methyl 3-(1-hydroxypropan-2-yloxy)-5-phenylmethoxybenzoate

Product 1

HCID 72524166Methyl 3-[1-(difluoromethoxy)propan-2-yloxy]-5-phenylmethoxybenzoate

Sources & evidence

ORD record: ord-445681ca4fb74f898da61e2400ba74da
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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