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

HRID 98336

Reaction equation

HRID 98336 reaction equation
[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:13][C:14]1([CH3:36])[O:15][c:16]2[c:17]([cH:19][cH:20][cH:21][c:22]2[CH:23]=[N:24][c:25]2[c:26]3[cH:27][cH:28][c:29]([CH3:30])[n:31][c:32]3[cH:33][cH:34][cH:35]2)[CH2:18]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[F:37][C:38]([CH:39]1[CH2:40][O:41]1)([F:42])[F:43].[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:23]([c:22]3[c:16]4[c:17]([cH:19][cH:20][cH:21]3)[CH2:18][C:14]([CH3:13])([CH3:36])[O:15]4)[C:39]3([C:38]([F:37])([F:42])[F:43])[CH2:40][O:41]3)[c:6]([CH3:12])[n:7][c:8]2[cH:9][cH:10][cH:11]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 1486835-Quinolinamine, 2-methyl-HCID 5207692-(Trifluoromethyl)oxiraneHCID 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-9177ac884c1c423fadb9e9133e338a5d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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