Acetic Acid → 4-(3-Dimethylamino-prop-1-ynyl)-3-trifluoromethyl-phenylamine

HRID 1233551Notes

Reaction equation

HRID 1233551 reaction equation
[C:20]([OH:21])(=[O:22])[CH3:23].[CH3:1][N:2]([CH2:3][C:4]#[C:5][c:6]1[c:7]([C:15]([F:16])([F:17])[F:18])[cH:8][c:9]([N+:12]([O-:13])=[O:14])[cH:10][cH:11]1)[CH3:19].[CH3:27][CH2:28][OH:29].[Fe:26].[NH3:25].[OH2:24]>>[CH3:1][N:2]([CH2:3][C:4]#[C:5][c:6]1[c:7]([C:15]([F:16])([F:17])[F:18])[cH:8][c:9]([NH2:12])[cH:10][cH:11]1)[CH3:19]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 222AmmoniaHCID 702EthanolHCID 962WaterHCID 23925IronHCID 67021317Dimethyl-[3-(4-nitro-2-trifluoromethyl-phenyl)-prop-2-ynyl]-amine

Product 1

HCID 670216344-(3-Dimethylamino-prop-1-ynyl)-3-trifluoromethyl-phenylamine

Sources & evidence

ORD record
ord-105a8b597ee9428aa8e6acf00ccb60f0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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