Water → Methyl 3-(4-trifluoromethylphenylamino)-2-pentenoate

HRID 92878

Reaction equation

HRID 92878 reaction equation
[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:8][cH:9]1)([F:10])[F:11].[O:12]=[C:13]([CH2:14][C:15](=[O:16])[O:17][CH3:18])[CH2:19][CH3:20].[OH2:28].[OH2:40].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([NH:7][C:13](=[CH:14][C:15](=[O:16])[O:17][CH3:18])[CH2:19][CH3:20])[cH:8][cH:9]1)([F:10])[F:11]

Participants

6

Reactant 5

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 99644-(Trifluoromethyl)anilineHCID 121699Methyl 3-oxovalerate

Product 1

HCID 68545758Methyl 3-(4-trifluoromethylphenylamino)-2-pentenoate

Sources & evidence

ORD record
ord-6dbe81d22e204b53b8c7a8ddf261d3ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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