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

HRID 281614Notes

Reaction equation

HRID 281614 reaction equation
[CH3:57][C:58]#[N:59].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[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][Br:28])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30].[NH2:32][C:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])[CH3:42].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[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][NH:32][C:33]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])[CH3:42])[cH:25][cH:26]3)[c:17]2[CH2:18]1)=[O:30]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 7019940tert-Butyl 2-methylalaninateHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

Product 1

HCID 67333969methyl 5-amino-4-[7-[[4-[[[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

Sources & evidence

ORD record
ord-108144ffc0934e0386812be9fff9274c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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