Toluene → 4-{[3-Methoxy-5-(trifluoromethyl)phenyl]amino}-3-penten-2-one

HRID 176434

Reaction equation

HRID 176434 reaction equation
[CH3:1][C:2](=[O:3])[CH2:4][C:5]([CH3:6])=[O:7].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:8][O:9][c:10]1[cH:11][c:12]([NH2:13])[cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[CH3:1][C:2](=[O:3])[CH:4]=[C:5]([CH3:6])[NH:13][c:12]1[cH:11][c:10]([O:9][CH3:8])[cH:16][c:15]([C:17]([F:18])([F:19])[F:20])[cH:14]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 31261AcetylacetoneHCID 6056715-(Trifluoromethyl)-m-anisidine

Product 1

HCID 694553434-{[3-Methoxy-5-(trifluoromethyl)phenyl]amino}-3-penten-2-one

Sources & evidence

ORD record
ord-31703b2b0a0c4749861130be54e0e0fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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