Ammonia → 2-Phenyl-2-[4-(1-methyl-1,2,3,4-tetrahydro-4-quinolyl)-phenoxy]-propionitrile

HRID 678620Notes

Reaction equation

HRID 678620 reaction equation
[CH3:29][O:30][S:31]([O:32][CH3:33])(=[O:34])=[O:35].[Fe+3:40].[N+:36]([O-:37])([O-:38])=[O:39].[N+:41]([O-:42])([O-:43])=[O:44].[N+:45]([O-:46])([O-:47])=[O:48].[NH3:1].[c:2]1([CH:8]([C:9]#[N:10])[O:11][c:12]2[cH:13][cH:14][c:15]([CH:18]3[CH2:19][CH2:20][N:21]([CH3:28])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]43)[cH:16][cH:17]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:8]([C:9]#[N:10])([O:11][c:12]2[cH:13][cH:14][c:15]([CH:18]3[CH2:19][CH2:20][N:21]([CH3:28])[c:22]4[cH:23][cH:24][cH:25][cH:26][c:27]43)[cH:16][cH:17]2)[CH3:29])[cH:3][cH:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 943Nitrate3×HCID 6497Dimethyl SulfateHCID 29936Ferric cationHCID 203714312-Phenyl-2-[4-(1-methyl-1,2,3,4-tetrahydro-4-quinolyl)-phenoxy]-acetonitrile

Product 1

HCID 203714302-Phenyl-2-[4-(1-methyl-1,2,3,4-tetrahydro-4-quinolyl)-phenoxy]-propionitrile

Sources & evidence

ORD record
ord-38557b9fa3234529a474a925c3c7909f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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