Potassium Cation → Bms-852927

HRID 92178Notes

Reaction equation

HRID 92178 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:28])[c:5](-[n:8]2[c:9]([C:17]([CH3:18])([CH3:19])[c:20]3[c:21]([Cl:27])[cH:22][cH:23][cH:24][c:25]3[Cl:26])[n:10][c:11]([C:13]([CH3:14])([CH3:15])[OH:16])[cH:12]2)[cH:6][cH:7]1.[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[F:29][c:30]1[c:31]([CH2:49][OH:50])[c:32]([S:45](=[O:46])(=[O:47])[CH3:48])[cH:33][c:34]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:35]1.[K+:51].[K+:52].[O-:53][C:54]([O-:55])=[O:56].[OH2:63]>>[c:2]1(-[c:34]2[cH:33][c:32]([S:45](=[O:46])(=[O:47])[CH3:48])[c:31]([CH2:49][OH:50])[c:30]([F:29])[cH:35]2)[cH:3][c:4]([F:28])[c:5](-[n:8]2[c:9]([C:17]([CH3:18])([CH3:19])[c:20]3[c:21]([Cl:27])[cH:22][cH:23][cH:24][c:25]3[Cl:26])[n:10][c:11]([C:13]([CH3:14])([CH3:15])[OH:16])[cH:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 66797188(2-Fluoro-6-(methylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanolHCID 66797680HCID 66797680, compound

Product 1

HCID 49787490Bms-852927

Sources & evidence

ORD record
ord-5d03c12950de4d72a7dfab584c35da61
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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