Potassium Cation → 6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(tetrahydro-pyran-2-ylmethyl)-3H-benzoimidazole-5-carboxylic acid methyl ester

HRID 86512Notes

Reaction equation

HRID 86512 reaction equation
[Br:24][CH2:25][CH:26]1[O:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10][nH:11]2)[c:12]([F:23])[c:13]1[NH:14][c:15]1[c:16]([Cl:22])[cH:17][c:18]([Br:21])[cH:19][cH:20]1.[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[K+:36].[K+:37].[OH2:49]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10][n:11]2[CH2:25][CH:26]2[O:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:12]([F:23])[c:13]1[NH:14][c:15]1[c:16]([Cl:22])[cH:17][c:18]([Br:21])[cH:19][cH:20]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 1419172-(Bromomethyl)tetrahydro-2H-pyranHCID 11749905Methyl 6-((4-bromo-2-chlorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylate

Product 1

HCID 688190776-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-(tetrahydro-pyran-2-ylmethyl)-3H-benzoimidazole-5-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-ce3aeb2fe83b4d7785162f4093b66d76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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