Methanol → 4-[2-[2-Fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid

HRID 1229058Notes

Reaction equation

HRID 1229058 reaction equation
[C:1]([O:2][C:3]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:12][CH3:13])[c:14]([NH2:15])[cH:16]2)[cH:17][cH:18][n:19]1)=[O:20])([CH3:21])([CH3:22])[CH3:23].[C:44]([CH3:45])([CH3:46])([CH3:47])[O:48][C:49](=[O:50])[c:51]1[n:52][cH:53][cH:54][c:55]([O:57][c:58]2[cH:59][c:60]3[c:61]([n:62]([CH3:77])[c:63]([NH:65][c:66]4[c:67]([F:76])[cH:68][cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[cH:71]4)[n:64]3)[cH:78][cH:79]2)[cH:56]1.[CH2:89]([Cl:90])[Cl:91].[CH3:87][OH:88].[F:27][c:28]1[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]1.[I:42][CH3:43].[N-:24]=[C:25]=[S:26].[NH2:38][C:39](=[S:40])[NH2:41].[OH:80][C:81]([C:82]([F:83])([F:84])[F:85])=[O:86]>>[O:48]=[C:49]([OH:50])[c:51]1[n:52][cH:53][cH:54][c:55]([O:57][c:58]2[cH:59][c:60]3[c:61]([n:62]([CH3:77])[c:63]([NH:65][c:66]4[c:67]([F:76])[cH:68][cH:69][c:70]([C:72]([F:73])([F:74])[F:75])[cH:71]4)[n:64]3)[cH:78][cH:79]2)[cH:56]1

Participants

10

Reactant 9

HCID 887MethanolHCID 6328Methyl iodideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 67873Benzene, 1-fluoro-4-(trifluoromethyl)-HCID 2723790ThioureaHCID 22040526Tert-butyl4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylateHCID 86592200Tert-butyl4-(2-{[2-fluoro-5-(trifluoromethyl)phenyl)amino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylateHCID 178418790HCID 178418790, compound

Product 1

HCID 684312954-[2-[2-Fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylic acid

Sources & evidence

ORD record
ord-be0a547704c849f08185da104c5f9f2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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