Ammonium → 1-[3-(4-Bromo-2-fluorophenyl)prop-2-ynyl]piperidine

HRID 1539959Notes

Reaction equation

HRID 1539959 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:9])[c:5]([I:8])[cH:6][cH:7]1.[CH2:10]([C:11]#[CH:12])[N:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Cl-:26].[Cu:74][I:75].[NH4+:27].[Pd:33]([Cl:34])[Cl:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[Br:1][c:2]1[cH:3][c:4]([F:9])[c:5]([C:12]#[C:11][CH2:10][N:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 3366521-(Prop-2-yn-1-yl)piperidineHCID 27245164-Bromo-2-fluoro-1-iodobenzene

Product 1

HCID 230875651-[3-(4-Bromo-2-fluorophenyl)prop-2-ynyl]piperidine

Sources & evidence

ORD record
ord-c31b5da0dd874b67a832d558fc56bd03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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