Acetic Acid → Methyl 3-(4-trifluoromethylphenylamino)-2-pentenoate

HRID 1556688

Reaction equation

HRID 1556688 reaction equation
[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:28][C:29](=[O:30])[OH:31].[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].[OH2:32]>>[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 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 99644-(Trifluoromethyl)anilineHCID 121699Methyl 3-oxovalerate

Product 1

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

Sources & evidence

ORD record
ord-90bce3f6cdec4125a01985375bdab31f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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