Dimethyl Sulfoxide → 5-Cyclopropyl-2-(5-fluoro-2-nitro-phenylamino)-benzonitrile

HRID 205086Notes

Reaction equation

HRID 205086 reaction equation
[CH3:28][S:29]([CH3:30])=[O:31].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[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+:26].[NH2:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]2[CH2:11][CH2:12]2)[cH:8][cH:9]1.[OH-:25].[OH2:24].[OH2:27]>>[NH:1]([c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([CH:10]2[CH2:11][CH2:12]2)[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 962Water2×HCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 679672,4-DifluoronitrobenzeneHCID 451221932-Amino-5-cyclopropylbenzonitrile

Product 1

HCID 586258745-Cyclopropyl-2-(5-fluoro-2-nitro-phenylamino)-benzonitrile

Sources & evidence

ORD record
ord-4909de8435904877aec964f07b13efc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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