3-Fluoro-4-piperazin-1-yl-benzonitrile → 3-Fluoro4-[4-(2-iodo-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-benzonitrile

HRID 2162164Notes

Reaction equation

HRID 2162164 reaction equation
[F:15][c:16]1[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][c:23]1[N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[I:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]1>>[I:1][c:2]1[c:3]([C:4](=[O:6])[N:27]2[CH2:26][CH2:25][N:24]([c:23]3[c:16]([F:15])[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]3)[CH2:29][CH2:28]2)[cH:7][c:8]([S:11](=[O:12])(=[O:13])[CH3:14])[cH:9][cH:10]1

Participants

3

Reactant 2

HCID 5961133-Fluoro-4-piperazin-1-yl-benzonitrileHCID 574452812-Iodo-5-methanesulfonyl-benzoic acid

Product 1

HCID 597935053-Fluoro4-[4-(2-iodo-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-benzonitrile

Sources & evidence

ORD record
ord-bee91e4d81c94b7c983d835ffa84eb3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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