Propargyl alcohol → HCID 9951891, compound

HRID 309686Notes

Reaction equation

HRID 309686 reaction equation
[CH2:25]([C:26]#[CH:27])[OH:28].[CH2:29]([NH:30][CH2:31][CH3:32])[CH3:33].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][n:12]([CH3:22])[c:13]3[cH:14][cH:15][c:16]([I:21])[cH:17][c:18]3[c:19]2=[O:20])[cH:23][cH:24]1.[Cu:34][I:35].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][n:12]([CH3:22])[c:13]3[cH:14][cH:15][c:16]([C:27]#[C:26][CH2:25][OH:28])[cH:17][c:18]3[c:19]2=[O:20])[cH:23][cH:24]1

Participants

7

Reactant 6

HCID 7859Propargyl alcoholHCID 8021DiethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 9955567HCID 9955567, compound

Product 1

HCID 9951891HCID 9951891, compound

Sources & evidence

ORD record
ord-9ab38c91bbfd4f21a312942c565b3dfb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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