Acetonitrile → HCID 57980146, compound

HRID 702597Notes

Reaction equation

HRID 702597 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:21])[c:5]([C:8](=[O:9])[N:10]2[CH:11]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1.[CH3:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH3:37][C:38]#[N:39].[Cs+:36].[F-:35]>>[c:2]1(-[c:29]2[cH:28][cH:27][c:26]([S:23]([CH3:22])(=[O:24])=[O:25])[cH:31][cH:30]2)[cH:3][c:4]([F:21])[c:5]([C:8](=[O:9])[N:10]2[CH:11]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:12][CH2:13][CH2:14]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 28179Fluoride IonHCID 104967Cesium cationHCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 11966062(4-Bromo-2-fluoro-phenyl)-(2-pyrrolidin-1-ylmethyl-pyrrolidin-yl)methanone

Product 1

HCID 57980146HCID 57980146, compound

Sources & evidence

ORD record
ord-fd71103e65a34c3fbdba0be3a30a86e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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