Potassium Cation → methyl 5-amino-5-oxo-4-[3-oxo-7-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methoxy]-1H-isoindol-2-yl]pentanoate

HRID 817411Notes

Reaction equation

HRID 817411 reaction equation
[Br:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[N:33]2[CH2:34][CH2:35][N:36]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH2:37][CH2:38]2)[cH:28][cH:29]1.[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH3:57][C:58]#[N:59].[K+:49].[K+:50].[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:20])[c:12]2[cH:13][cH:14][cH:15][c:16]([OH:19])[c:17]2[CH2:18]1)=[O:21].[OH2:60]>>[NH2:1][C:2]([CH:3]([CH2:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[N:10]1[C:11](=[O:20])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:23][c:24]3[cH:25][cH:26][c:27]([S:30](=[O:31])(=[O:32])[N:33]4[CH2:34][CH2:35][N:36]([c:39]5[cH:40][cH:41][cH:42][cH:43][cH:44]5)[CH2:37][CH2:38]4)[cH:28][cH:29]3)[c:17]2[CH2:18]1)=[O:21]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 58389139Methyl 5-amino-4-(4-hydroxy-1-oxoisoindolin-2-yl)-5-oxopentanoateHCID 673346871-[4-(Bromomethyl)phenyl]sulfonyl-4-phenylpiperazine

Product 1

HCID 67334099methyl 5-amino-5-oxo-4-[3-oxo-7-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methoxy]-1H-isoindol-2-yl]pentanoate

Sources & evidence

ORD record
ord-61c905b4a70f4b729b558d67517f5c93
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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