Potassium Cation → N-(5-(2,2-difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)pyrazin-2-yl)-2,6-difluorobenzamide

HRID 86837Notes

Reaction equation

HRID 86837 reaction equation
[Br:1][c:2]1[n:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])=[O:18])[n:6][cH:7]1.[C:49](#[N:50])[CH3:51].[F:19][C:20]1([F:39])[O:21][c:22]2[c:23]([cH:25][c:26]([CH3:38])[c:27]([B:29]3[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]3)[cH:28]2)[O:24]1.[K+:45].[K+:46].[K+:47].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[OH2:48].[P:40]([O-:41])([O-:42])([O-:43])=[O:44]>>[c:2]1(-[c:27]2[c:26]([CH3:38])[cH:25][c:23]3[c:22]([cH:28]2)[O:21][C:20]([F:19])([F:39])[O:24]3)[n:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([F:17])[cH:12][cH:13][cH:14][c:15]2[F:16])=[O:18])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6342AcetonitrileHCID 312751,4-DioxaneHCID 53415197N-(5-Bromopyrazin-2-YL)-2,6-difluorobenzamideHCID 584872352-(2,2-Difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product 1

HCID 58487084N-(5-(2,2-difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)pyrazin-2-yl)-2,6-difluorobenzamide

Sources & evidence

ORD record
ord-d3c5403b77a345b7898352d972db029d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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