Potassium Cation → 5-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-hydroxy-2-methylpropoxy)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide

HRID 674263Notes

Reaction equation

HRID 674263 reaction equation
[Br:68][c:69]1[cH:70][cH:71][cH:72][c:73]([CH2:75][O:76][CH2:77][C:78]([CH3:79])([OH:80])[CH3:81])[n:74]1.[C:1]([OH:2])([CH2:3][CH3:4])([CH3:5])[CH3:6].[C:62](=[O:63])([O-:64])[O-:65].[CH3:82][OH:83].[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2-[c:42]2[c:43]([CH:44]([CH3:45])[CH3:46])[cH:47][c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]2[CH:54]([CH3:55])[CH3:56])[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[K+:66].[K+:67].[NH2:7][c:8]1[s:9][c:10](-[c:16]2[c:17]([F:27])[cH:18][c:19]([C:23]([CH3:24])([CH3:25])[OH:26])[cH:20][c:21]2[F:22])[cH:11][c:12]1[C:13](=[O:14])[NH2:15].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:84].[Pd:85]>>[NH:7]([c:8]1[s:9][c:10](-[c:16]2[c:17]([F:27])[cH:18][c:19]([C:23]([CH3:24])([CH3:25])[OH:26])[cH:20][c:21]2[F:22])[cH:11][c:12]1[C:13](=[O:14])[NH2:15])[c:69]1[cH:70][cH:71][cH:72][c:73]([CH2:75][O:76][CH2:77][C:78]([CH3:79])([OH:80])[CH3:81])[n:74]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 887MethanolHCID 64052-Methyl-2-butanolHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 583352721-[(6-Bromopyridin-2-yl)methoxy]-2-methylpropan-2-olHCID 595256192-Amino-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]thiophene-3-carboxamide

Product 1

HCID 251105985-[2,6-Difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-({6-[(2-hydroxy-2-methylpropoxy)methyl]pyridin-2-yl}amino)thiophene-3-carboxamide

Sources & evidence

ORD record
ord-a6a72aca042441a497f200bde3ed3950
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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