Hydrogen Peroxide → (5-{2-[(Cyclopropanecarbonyl-ethyl-amino)-methyl]-4-trifluoromethyl-phenyl}-6-methoxy-pyridin-3-yl)-acetic acid

HRID 698567Notes

Reaction equation

HRID 698567 reaction equation
[BH3:39].[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[CH:6]1[CH2:7][CH2:8]1)[CH2:9][c:10]1[c:11](-[c:20]2[c:21]([O:32][CH3:33])[n:22][cH:23][c:24]([C:26]#[C:27][Si:28]([CH3:29])([CH3:30])[CH3:31])[cH:25]2)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:44][OH:45].[Na+:43].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH-:42].[OH:40][OH:41]>>[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[CH:6]1[CH2:7][CH2:8]1)[CH2:9][c:10]1[c:11](-[c:20]2[c:21]([O:32][CH3:33])[n:22][cH:23][c:24]([CH2:26][C:27](=[O:42])[OH:45])[cH:25]2)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1

Participants

8

Reactant 7

HCID 784Hydrogen PeroxideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 6331BoraneHCID 8028Tetrahydrofuran2×HCID 67212431Cyclopropanecarboxylic acid ethyl-[2-(2-methoxy-5-trimethylsilanylethynyl-pyridin-3-yl)-5-trifluoromethyl-benzyl]-amide

Product 1

HCID 45138482(5-{2-[(Cyclopropanecarbonyl-ethyl-amino)-methyl]-4-trifluoromethyl-phenyl}-6-methoxy-pyridin-3-yl)-acetic acid

Sources & evidence

ORD record
ord-e576896d46dd4d1fb72d5a0126ab116d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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