Acetate → HCID 54245366, compound

HRID 686965Notes

Reaction equation

HRID 686965 reaction equation
[C:40]([CH3:41])([CH3:42])([CH3:43])[C:44]#[CH:45].[C:48]([O-:49])(=[O:50])[CH3:51].[C:53]([O-:54])(=[O:55])[CH3:56].[CH2:35]([NH2:36])[CH2:37][CH2:38][CH3:39].[Cl:1][CH:2]=[CH:3][CH2:4][N:5]([CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][c:11]([Br:15])[cH:12][cH:13][cH:14]1.[Cu:46][I:47].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[Pd+2:52].[c:16]1([P:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH:2](=[CH:3][CH2:4][N:5]([CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][c:11]([Br:15])[cH:12][cH:13][cH:14]1)[C:45]#[C:44][C:40]([CH3:41])([CH3:42])[CH3:43]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 8007ButylamineHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 135123,3-Dimethyl-1-butyneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 54385781HCID 54385781, compound

Product 1

HCID 54245366HCID 54245366, compound

Sources & evidence

ORD record
ord-68522b9fdfe048adbda0a23d77009f2a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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