Methanol → 4-{2-[(4-Bromo-3-methylphenyl)amino]-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid

HRID 1542648Notes

Reaction equation

HRID 1542648 reaction equation
[Br:27][c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[CH3:34].[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:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[c:48]1[n:49][cH:50][cH:51][c:52]([O:54][c:55]2[cH:56][c:57]3[c:58]([n:59]([CH3:71])[c:60]([NH:62][c:63]4[cH:64][c:65]([CH3:70])[c:66]([Br:69])[cH:67][cH:68]4)[n:61]3)[cH:72][cH:73]2)[cH:53]1.[CH2:83]([Cl:84])[Cl:85].[CH3:81][OH:82].[I:39][CH3:40].[N-:24]=[C:25]=[S:26].[NH2:35][C:36](=[S:37])[NH2:38].[OH:74][C:75]([C:76]([F:77])([F:78])[F:79])=[O:80]>>[O:45]=[C:46]([OH:47])[c:48]1[n:49][cH:50][cH:51][c:52]([O:54][c:55]2[cH:56][c:57]3[c:58]([n:59]([CH3:71])[c:60]([NH:62][c:63]4[cH:64][c:65]([CH3:70])[c:66]([Br:69])[cH:67][cH:68]4)[n:61]3)[cH:72][cH:73]2)[cH:53]1

Participants

10

Reactant 9

HCID 887MethanolHCID 6328Methyl iodideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 72362-BromotolueneHCID 2723790ThioureaHCID 22040526Tert-butyl4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylateHCID 86592198Tert-butyl4-(2-{[4-bromo-3-methylphenyl]amino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylateHCID 178418790HCID 178418790, compound

Product 1

HCID 220410884-{2-[(4-Bromo-3-methylphenyl)amino]-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylic acid

Sources & evidence

ORD record
ord-77cf5e83d26b4dcab640bbb3cacbf642
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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