Propargyl alcohol → 3-(4-Amino-5-nitro-2'-trifluoromethyl-biphenyl-3-yl)-prop-2-yn-1-ol

HRID 1145230Notes

Reaction equation

HRID 1145230 reaction equation
[CH2:22]1[CH2:23][CH2:24][CH2:25][O:26]1.[CH2:27]([OH:28])[C:29]#[CH:30].[CH3:31][CH2:32][O:33][C:34]([CH3:35])=[O:36].[Cu:37][I:38].[I:1][c:2]1[cH:3][c:4](-[c:12]2[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][cH:17]2)[cH:5][c:6]([N+:9](=[O:10])[O-:11])[c:7]1[NH2:8]>>[c:2]1([C:23]#[C:24][CH2:25][OH:26])[cH:3][c:4](-[c:12]2[c:13]([C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16][cH:17]2)[cH:5][c:6]([N+:9](=[O:10])[O-:11])[c:7]1[NH2:8]

Participants

6

Reactant 5

HCID 7859Propargyl alcoholHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 509942803-Iodo-5-nitro-2'-trifluoromethyl-biphenyl-4-ylamine

Product 1

HCID 509943603-(4-Amino-5-nitro-2'-trifluoromethyl-biphenyl-3-yl)-prop-2-yn-1-ol

Sources & evidence

ORD record
ord-011927c264384e899c6799b841546697
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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