Methanol → Methyl 6-((4-bromo-2-chlorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylate

HRID 702313Notes

Reaction equation

HRID 702313 reaction equation
[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:22])[c:13]1[NH:14][c:15]1[c:16]([Cl:21])[cH:17][cH:18][cH:19][cH:20]1.[CH3:23][c:24]1[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1.[CH3:43][OH:44].[O:35]=[C:36]1[N:37]([Br:42])[C:38](=[O:39])[CH2:40][CH2:41]1.[OH2:34]>>[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:22])[c:13]1[NH:14][c:15]1[c:16]([Cl:21])[cH:17][c:18]([Br:42])[cH:19][cH:20]1

Participants

6

Reactant 5

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 67184N-bromobutanimideHCID 668977516-(2-Chloro-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid methyl ester

Product 1

HCID 11749905Methyl 6-((4-bromo-2-chlorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylate

Sources & evidence

ORD record
ord-be3d8501117a42d6a042fd9988cffad5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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