Hydrogen Peroxide → 2-Chloro-4-[[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]benzonitrile

HRID 2318162Notes

Reaction equation

HRID 2318162 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([N:10]([CH:11]2[CH2:12][N:13]([CH2:17][CH:18]=[CH2:19])[C:14](=[O:16])[CH2:15]2)[CH2:20][c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)[cH:9]1.[Na+:32].[OH-:31].[OH2:28].[OH:29][OH:30]>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([N:10]([CH:11]2[CH2:12][N:13]([CH2:17][CH2:18][CH2:19][OH:28])[C:14](=[O:16])[CH2:15]2)[CH2:20][c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)[cH:9]1

Participants

7

Reactant 6

HCID 784Hydrogen PeroxideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 723122692-Chloro-4-[(2-methylphenyl)methyl-(5-oxo-1-prop-2-enylpyrrolidin-3-yl)amino]benzonitrile

Product 1

HCID 723122812-Chloro-4-[[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]benzonitrile

Sources & evidence

ORD record
ord-6c9c449232144e17b51252b43ba11807
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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