Sodium ion → N-(5-(2-aminobenzo[d]thiazol-6-yl)-2-chloropyridin-3-yl)-3-(difluoromethoxy)benzenesulfonamide

HRID 1566215Notes

Reaction equation

HRID 1566215 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([O:18][CH:19]([F:20])[F:21])[cH:15][cH:16][cH:17]1.[NH2:31][c:32]1[s:33][c:34]2[c:35]([n:36]1)[cH:37][cH:38][c:39]([Br:41])[cH:40]2.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:39]2[cH:38][cH:37][c:35]3[c:34]([s:33][c:32]([NH2:31])[n:36]3)[cH:40]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([O:18][CH:19]([F:20])[F:21])[cH:15][cH:16][cH:17]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 851492-Benzothiazolamine, 6-bromo-HCID 57416507N-[2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-3-(difluoromethoxy)benzene-1-sulfonamideHCID 178420554HCID 178420554, compound

Product 1

HCID 57585041N-(5-(2-aminobenzo[d]thiazol-6-yl)-2-chloropyridin-3-yl)-3-(difluoromethoxy)benzenesulfonamide

Sources & evidence

ORD record
ord-17fe071f1efb478fb40cba23f375db59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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