Tetrahydrofuran → 2-[(2-Chloro-6-fluorophenyl)amino]-7,7-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

HRID 694840Notes

Reaction equation

HRID 694840 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:31][c:32]1[c:33]([NH2:34])[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1.[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[OH:26])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[S:27]([Cl:28])([Cl:29])=[O:30]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:26])[NH:34][c:33]2[c:32]([CH3:31])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:35]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 81531DiisopropylethylamineHCID 137504374-Amino-3-methylbenzotrifluorideHCID 178422815HCID 178422815, compound

Product 1

HCID 1784260402-[(2-Chloro-6-fluorophenyl)amino]-7,7-dimethyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide

Sources & evidence

ORD record
ord-249561ce52324cd4bc8289c5c805f986
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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