Hydrochloric Acid → methyl 5-amino-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

HRID 304053

Reaction equation

HRID 304053 reaction equation
[CH2:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH:45]([CH3:46])[CH3:47])[CH3:48].[CH3:32][C:33]1([CH3:39])[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:49][C:50]#[N:51].[ClH:31].[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][Cl: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][C:33]([CH3:32])([CH3:39])[CH2:38][CH2:37]4)[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 1381004,4-DimethylpiperidineHCID 67334081methyl 5-amino-4-[7-[[4-(chloromethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

Product 1

HCID 67334163methyl 5-amino-4-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

Sources & evidence

ORD record
ord-8b87c2ed9d5e415fa9144d28798706f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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