Acetonitrile → methyl 5-amino-5-oxo-4-[3-oxo-7-[[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]pentanoate

HRID 320993Notes

Reaction equation

HRID 320993 reaction equation
[CH3:49][C:50]#[N:51].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[F:1][C:2]([CH:3]1[NH:4][CH2:5][CH2:6][CH2:7]1)([F:8])[F:9].[NH2:10][C:11]([CH:12]([CH2:13][CH2:14][C:15](=[O:16])[O:17][CH3:18])[N:19]1[C:20](=[O:38])[c:21]2[cH:22][cH:23][cH:24][c:25]([O:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([CH2:36][Br:37])[cH:34][cH:35]3)[c:26]2[CH2:27]1)=[O:39]>>[F:1][C:2]([CH:3]1[N:4]([CH2:36][c:33]2[cH:32][cH:31][c:30]([CH2:29][O:28][c:25]3[cH:24][cH:23][cH:22][c:21]4[c:26]3[CH2:27][N:19]([CH:12]([C:11]([NH2:10])=[O:39])[CH2:13][CH2:14][C:15](=[O:16])[O:17][CH3:18])[C:20]4=[O:38])[cH:35][cH:34]2)[CH2:5][CH2:6][CH2:7]1)([F:8])[F:9]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 27828392-(Trifluoromethyl)pyrrolidineHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

Product 1

HCID 67335351methyl 5-amino-5-oxo-4-[3-oxo-7-[[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]pentanoate

Sources & evidence

ORD record
ord-aa7b6cb21c784ed985e74ee56ea4669f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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