Chloride → alpha-(4-Chlorophenyl)-2-methoxy-4-nitrobenzeneacetonitrile

HRID 210898Notes

Reaction equation

HRID 210898 reaction equation
[CH2:27]([N+:28]([CH2:29][CH3:30])([CH2:31][CH3:32])[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH3:40].[Cl-:26].[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH2:22][C:23]#[N:24])[cH:20][cH:21]1.[Cl:1][c:2]1[c:3]([O:11][CH3:12])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[ClH:25].[Na+:14].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:13]>>[c:2]1([CH:22]([c:19]2[cH:18][cH:17][c:16]([Cl:15])[cH:21][cH:20]2)[C:23]#[N:24])[c:3]([O:11][CH3:12])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 17208BenzyltriethylammoniumHCID 705192-Chloro-5-nitroanisoleHCID 2415824-Chlorobenzyl cyanide

Product 1

HCID 23035215alpha-(4-Chlorophenyl)-2-methoxy-4-nitrobenzeneacetonitrile

Sources & evidence

ORD record
ord-af936482022f484181ae428c7664c718
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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