Ethanol → 2,5-Difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide

HRID 100772

Reaction equation

HRID 100772 reaction equation
[Br:23][c:24]1[cH:25][c:26]([F:35])[c:27]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:28][c:29]1[F:30].[CH3:119][CH2:120][OH:121].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[c:24]2[cH:25][c:26]([F:35])[c:27]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:28][c:29]2[F:30])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 27732934-Bromo-2,5-difluorobenzenesulfonamideHCID 18367522[4-(3-Hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]boronic acidHCID 178420554HCID 178420554, compound

Product 1

HCID 206927582,5-Difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide

Sources & evidence

ORD record
ord-8645ab2a846a4bd2a88d60f89029b9b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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