Chloride → 4-[5-(2-Chloro-4-trifluoromethylphenoxy)-2-nitrophenoxy]-3-oxo-2-(2,4-dichlorophenyl)-pentanenitrile

HRID 138880

Reaction equation

HRID 138880 reaction equation
[Cl-:12].[Cl:13][c:14]1[c:15]([O:16][c:17]2[cH:18][cH:19][c:20]([N+:29](=[O:30])[O-:31])[c:21]([O:22][CH:23]([C:24](=[O:25])[OH:26])[CH3:27])[cH:28]2)[cH:32][cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1.[Cl:1][c:2]1[c:3]([CH2:9][C:10]#[N:11])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[ClH:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]#[N:11])[C:24]([CH:23]([O:22][c:21]2[c:20]([N+:29](=[O:30])[O-:31])[cH:19][cH:18][c:17]([O:16][c:15]3[c:14]([Cl:13])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:32]3)[cH:28]2)[CH3:27])=[O:25])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 805662,4-DichlorophenylacetonitrileHCID 35679032-{5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy}propanoic acid

Product 1

HCID 229047774-[5-(2-Chloro-4-trifluoromethylphenoxy)-2-nitrophenoxy]-3-oxo-2-(2,4-dichlorophenyl)-pentanenitrile

Sources & evidence

ORD record
ord-2d0b04db22714645abd94fc6595f13a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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