Triethylamine → 2-(3,3-Dimethyl-but-1-ynyl)-6-fluoro-4-nitro-phenylamine

HRID 109136Notes

Reaction equation

HRID 109136 reaction equation
[Br:1][c:2]1[c:3]([NH2:12])[c:4]([F:11])[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[CH3:13][C:14]([C:15]#[CH:16])([CH3:17])[CH3:18].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[Cu:26][I:27].[Pd:28]([Cl:29])[Cl:30].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[c:2]1([C:16]#[C:15][C:14]([CH3:13])([CH3:17])[CH3:18])[c:3]([NH2:12])[c:4]([F:11])[cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1

Participants

7

Reactant 6

HCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 135123,3-Dimethyl-1-butyneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 143001412-Bromo-6-fluoro-4-nitroaniline

Product 1

HCID 591292912-(3,3-Dimethyl-but-1-ynyl)-6-fluoro-4-nitro-phenylamine

Sources & evidence

ORD record
ord-e6ad8fd5aaae48f2a1e4b8dda0e647c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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