Potassium Cation → 3-(5-Cyclohex-1-enyl-1H-inden-2-ylmethoxy)-2,6-difluoro-benzamide

HRID 2128652Notes

Reaction equation

HRID 2128652 reaction equation
[C:32]1([O:38][S:39]([C:40]([F:41])([F:42])[F:43])(=[O:44])=[O:45])=[CH:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[NH2:6])[c:7]([F:31])[cH:8][cH:9][c:10]1[O:11][CH2:12][C:13]1=[CH:21][c:20]2[c:15]([cH:16][cH:17][c:18]([B:22]3[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]3)[cH:19]2)[CH2:14]1.[K+:51].[K+:52].[K+:53].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59].[P:46]([O-:47])([O-:48])([O-:49])=[O:50]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH2:6])[c:7]([F:31])[cH:8][cH:9][c:10]1[O:11][CH2:12][C:13]1=[CH:21][c:20]2[c:15]([cH:16][cH:17][c:18]([C:32]3=[CH:33][CH2:34][CH2:35][CH2:36][CH2:37]3)[cH:19]2)[CH2:14]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 3194401-Cyclohexenyl trifluoromethanesulfonateHCID 666197492,6-Difluoro-3-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-inden-2-ylmethoxy]-benzamide

Product 1

HCID 666197163-(5-Cyclohex-1-enyl-1H-inden-2-ylmethoxy)-2,6-difluoro-benzamide

Sources & evidence

ORD record
ord-e735686b2bc54dc8ba3ccef24e4b36d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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