Toluene → 2-((2-Chloro-6-fluorophenyl)amino)-1,7,7-trimethyl-N-(5-(trifluoromethyl)pyridin-2-yl)-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide

HRID 678464Notes

Reaction equation

HRID 678464 reaction equation
[CH3:40][Al:41]([CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11][c:12]3[c:13]([n:14]2[CH3:15])[c:16]2[c:20]([c:21]([C:23](=[O:24])[O:25][CH3:26])[cH:22]3)[O:19][C:18]([CH3:27])([CH3:28])[CH2:17]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[F:29][C:30]([c:31]1[cH:32][cH:33][c:34]([NH2:37])[n:35][cH:36]1)([F:38])[F:39]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[n:11][c:12]3[c:13]([n:14]2[CH3:15])[c:16]2[c:20]([c:21]([C:23](=[O:24])[NH:37][c:34]4[cH:33][cH:32][c:31]([C:30]([F:29])([F:38])[F:39])[cH:36][n:35]4)[cH:22]3)[O:19][C:18]([CH3:27])([CH3:28])[CH2:17]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 7358622-Amino-5-(trifluoromethyl)pyridineHCID 16682925TrimethylaluminumHCID 67503529methyl 2-((2-chloro-6-fluorophenyl)amino)-1,7,7-trimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxylate

Product 1

HCID 675033212-((2-Chloro-6-fluorophenyl)amino)-1,7,7-trimethyl-N-(5-(trifluoromethyl)pyridin-2-yl)-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide

Sources & evidence

ORD record
ord-b2eb104662e5426fb56d73eb80d82039
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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