Dimethyl Sulfoxide → 2-(5-Fluoro-2-nitro-phenylamino)-5-isopropyl-benzonitrile

HRID 1544982Notes

Reaction equation

HRID 1544982 reaction equation
[CH3:27][S:28]([CH3:29])=[O:30].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[F:13][c:14]1[c:15]([N+:21](=[O:22])[O-:23])[cH:16][cH:17][c:18]([F:20])[cH:19]1.[Li+:24].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]([CH3:11])[CH3:12])[cH:8][cH:9]1.[OH-:25].[OH2:26]>>[NH:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]([CH3:11])[CH3:12])[cH:8][cH:9]1)[c:14]1[c:15]([N+:21](=[O:22])[O-:23])[cH:16][cH:17][c:18]([F:20])[cH:19]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 679672,4-DifluoronitrobenzeneHCID 210934632-Amino-5-isopropylbenzonitrile

Product 1

HCID 586259572-(5-Fluoro-2-nitro-phenylamino)-5-isopropyl-benzonitrile

Sources & evidence

ORD record
ord-56f84a007da1437fa2341aa3b3eb2c58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…