Dimethylformamide → 2-isopropoxy-3-methoxy-6-(prop-1-ynyl)-N-trifluoroacetylaniline

HRID 299227Notes

Reaction equation

[CH3:30][C:31]#[CH:32].[CH:21]([CH3:22])([CH3:23])[N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29].[Cu:38][I:39].[I:1][c:2]1[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([O:15][CH:16]([CH3:17])[CH3:18])[c:7]1[NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37]>>[c:2]1([C:22]#[C:21][CH3:23])[cH:3][cH:4][c:5]([O:19][CH3:20])[c:6]([O:15][CH:16]([CH3:17])[CH3:18])[c:7]1[NH:8][C:9]([C:10]([F:11])([F:12])[F:13])=[O:14]

Participants

Reactant 5

HCID 6228Dimethylformamide

HCID 6335Propyne

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

HCID 81531Diisopropylethylamine

HCID 866376576-iodo-2-isopropoxy-3-methoxy-N-trifluoroacetylaniline

Product 1

HCID 866376562-isopropoxy-3-methoxy-6-(prop-1-ynyl)-N-trifluoroacetylaniline

Sources & evidence

ORD record: ord-8b16e17791ff4cf9a6ad6843094e0af3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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