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

HRID 295519Notes

Reaction equation

HRID 295519 reaction equation
[CH3:31][O:32][CH:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:48][C:49]#[N:50].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][Br:28])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]>>[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:29])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][N:36]4[CH2:35][CH2:34][CH:33]([O:32][CH3:31])[CH2:38][CH2:37]4)[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 776664-MethoxypiperidineHCID 81531DiisopropylethylamineHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

Product 1

HCID 67334197methyl 5-amino-4-[7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

Sources & evidence

ORD record
ord-85c1bfa948894190a3047552c07df937
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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