Sodium ion → HCID 178494087, compound

HRID 1130595Notes

Reaction equation

HRID 1130595 reaction equation
[Br:30][c:31]1[cH:32][c:33]([NH:50][C:51](=[O:52])[c:53]2[n:54][c:55]([CH2:58][N:59]3[CH2:60][CH:61]([CH3:66])[O:62][CH:63]([CH3:65])[CH2:64]3)[s:56][cH:57]2)[c:34]2[cH:35][n:36][n:37]([S:40](=[O:41])(=[O:42])[c:43]3[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]3)[c:38]2[cH:39]1.[CH2:73]1[O:74][CH2:75][CH2:76][O:77][CH2:78]1.[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[c:14]([O:28][CH3:29])[n:15][cH:16][c:17]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:67].[Na+:68].[O-:69][C:70](=[O:71])[O-:72].[OH2:79]>>[F:1][c:2]1[c:3]([S:9](=[O:10])(=[O:11])[NH:12][c:13]2[c:14]([O:28][CH3:29])[n:15][cH:16][c:17](-[c:31]3[cH:32][c:33]([NH:50][C:51](=[O:52])[c:53]4[n:54][c:55]([CH2:58][N:59]5[CH2:60][CH:61]([CH3:66])[O:62][CH:63]([CH3:65])[CH2:64]5)[s:56][cH:57]4)[c:34]4[cH:35][n:36][n:37]([S:40](=[O:41])(=[O:42])[c:43]5[cH:44][cH:45][c:46]([CH3:49])[cH:47][cH:48]5)[c:38]4[cH:39]3)[cH:18]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 595647052,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamideHCID 178427405HCID 178427405, compound

Product 1

HCID 178494087HCID 178494087, compound

Sources & evidence

ORD record
ord-3e63e60bb6694cc8a216d0d3bca95f31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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