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

HRID 300866Notes

Reaction equation

HRID 300866 reaction equation
[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[CH3:42][CH2:43][OH:44].[N-:2]=[N+:3]=[N-:4].[NH2:5][C:6]([CH:7]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[N:14]1[C:15](=[O:33])[c:16]2[cH:17][cH:18][cH:19][c:20]([O:23][CH2:24][c:25]3[cH:26][cH:27][c:28]([CH2:31][Br:32])[cH:29][cH:30]3)[c:21]2[CH2:22]1)=[O:34].[Na+:1].[OH2:35]>>[N:2](=[N+:3]=[N-:4])[CH2:31][c:28]1[cH:27][cH:26][c:25]([CH2:24][O:23][c:20]2[cH:19][cH:18][cH:17][c:16]3[c:21]2[CH2:22][N:14]([CH:7]([C:6]([NH2:5])=[O:34])[CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[C:15]3=[O:33])[cH:30][cH:29]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 33558AzideHCID 58388934Gamma-(aminocarbonyl)-4-[[4-(bromomethyl)phenyl]methoxy]-1,3-dihydro-1-oxo-2h-isoindole-2-butanoic acid methyl ester

Product 1

HCID 86656503methyl 5-amino-4-[7-[[4-(azidomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

Sources & evidence

ORD record
ord-22dcd08267514515b3e611c1dfcbb3cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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