Diethyl Ether → [3-[2-Chloro-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]anilino]-1,1,1-trifluoro-2-methyl-3-oxopropan-2-yl] acetate

HRID 210707

Reaction equation

HRID 210707 reaction equation
[CH2:1]([CH:2]1[CH2:3][O:4]1)[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].[CH3:31][CH2:32][O:33][CH2:34][CH3:35].[Cl:10][c:11]1[c:12]([NH:18][C:19]([C:20]([C:21]([F:22])([F:23])[F:24])([CH3:25])[O:26][C:27]([CH3:28])=[O:29])=[O:30])[cH:13][cH:14][c:15]([NH2:17])[cH:16]1.[Cu+2:44].[F:36][C:37]([F:38])([F:39])[S:40]([O-:41])(=[O:42])=[O:43].[F:45][C:46]([F:47])([F:48])[S:49]([O-:50])(=[O:51])=[O:52]>>[CH2:1]([CH:2]([CH2:3][NH:17][c:15]1[cH:14][cH:13][c:12]([NH:18][C:19]([C:20]([C:21]([F:22])([F:23])[F:24])([CH3:25])[O:26][C:27]([CH3:28])=[O:29])=[O:30])[c:11]([Cl:10])[cH:16]1)[OH:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9]

Participants

6

Reactant 5

HCID 3283Diethyl EtherHCID 243142-((1,1-Dimethylethoxy)methyl)oxiraneHCID 27099Cupric cationHCID 2758875Trifluoromethanesulfonate2×HCID 22287184[3-(4-Amino-2-chloroanilino)-1,1,1-trifluoro-2-methyl-3-oxopropan-2-yl] acetate

Product 1

HCID 22287199[3-[2-Chloro-4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]anilino]-1,1,1-trifluoro-2-methyl-3-oxopropan-2-yl] acetate

Sources & evidence

ORD record
ord-2c57a18a96d94995bf7cf86f1b6ec3a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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