1,2-Dichloroethane → 5-Chloro-4-oxo-2,2-diphenylpentanenitrile

HRID 1572576Notes

Reaction equation

HRID 1572576 reaction equation
[C:20]([c:21]1[cH:22][c:23]([S:24][c:25]2[cH:26][c:27]([CH3:28])[c:29]([OH:31])[c:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37]2)[cH:38][c:39]([CH3:40])[c:41]1[OH:30])([CH3:42])([CH3:43])[CH3:44].[CH3:66][CH2:67][OH:68].[Cl:1][C:2]([CH2:3][C:4]([C:5]#[N:6])([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)=[CH2:19].[Cl:62][CH2:63][CH2:64][Cl:65].[Na+:60].[Na+:61].[OH:45][O:46][C:47]([c:48]1[cH:49][c:50]([Cl:51])[cH:52][cH:53][cH:54]1)=[O:55].[S:56]([O-:57])([O-:58])=[O:59]>>[CH2:3]([C:4]([C:5]#[N:6])([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:64](=[O:30])[CH2:63][Cl:62]

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 702EthanolHCID 923Sodium ion2×HCID 1099SulfiteHCID 73064,4'-Thiobis(2-tert-butyl-6-methylphenol)HCID 70297m-Chloroperbenzoic acidHCID 128736284-Chloro-2,2-diphenyl-4-pentenenitrile

Product 1

HCID 128736295-Chloro-4-oxo-2,2-diphenylpentanenitrile

Sources & evidence

ORD record
ord-0a072f6f5cef4ceb97611f9da67c3448
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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