Chloride → Benzeneacetonitrile, 2-chloro-α-(4-chlorophenyl)-4-nitro-

HRID 2160916Notes

Reaction equation

HRID 2160916 reaction equation
[CH2:26]([N+:27]([CH2:28][CH3:29])([CH2:30][CH3:31])[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH3:39].[Cl-:25].[Cl:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][C:22]#[N:23])[cH:19][cH:20]1.[Cl:1][c:2]1[c:3]([Cl:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[ClH:24].[Na+:13].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:12].[OH2:45]>>[c:2]1([CH:21]([c:18]2[cH:17][cH:16][c:15]([Cl:14])[cH:20][cH:19]2)[C:22]#[N:23])[c:3]([Cl:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 74431,2-Dichloro-4-nitrobenzeneHCID 8028TetrahydrofuranHCID 17208BenzyltriethylammoniumHCID 2415824-Chlorobenzyl cyanide

Product 1

HCID 18510711Benzeneacetonitrile, 2-chloro-α-(4-chlorophenyl)-4-nitro-

Sources & evidence

ORD record
ord-de7803ee00854558b8870b17662998db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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