Toluene → 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-[2-(trifluoromethyl)oxiran-2-yl]methyl]-2-methylquinolin-5-amine

HRID 148804

Reaction equation

HRID 148804 reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:26][C:27]1([CH3:28])[CH2:29][c:30]2[cH:31][cH:32][cH:33][c:34]([CH:35]=[N:36][c:37]3[c:38]4[cH:39][cH:40][c:41]([CH3:42])[n:43][c:44]4[cH:45][cH:46][cH:47]3)[c:48]2[O:49]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][c:19]2[c:23]1[O:22][C:21]([CH3:24])([CH3:25])[CH2:20]2.[F:50][C:51]([CH:52]1[CH2:53][O:54]1)([F:55])[F:56].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1>>[NH2:1][c:2]1[c:3]2[cH:4][c:5]([CH:13]([c:15]3[cH:16][cH:17][cH:18][c:19]4[c:23]3[O:22][C:21]([CH3:24])([CH3:25])[CH2:20]4)[C:52]3([C:51]([F:50])([F:55])[F:56])[CH2:53][O:54]3)[c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 1486835-Quinolinamine, 2-methyl-HCID 5207692-(Trifluoromethyl)oxiraneHCID 27954712,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehydeHCID 671363091-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-(2-methylquinolin-5-yl)methanimine

Product 1

HCID 866182323-[(2,2-dimethyl-3H-1-benzofuran-7-yl)-[2-(trifluoromethyl)oxiran-2-yl]methyl]-2-methylquinolin-5-amine

Sources & evidence

ORD record
ord-c8a1d4e62f064168a28823d251fa20d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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