Acetate → HCID 68862586, compound

HRID 1563686Notes

Reaction equation

HRID 1563686 reaction equation
[Br:25][c:26]1[cH:27][c:28]2[c:29](=[O:44])[c:30]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:31][n:32]3[c:33]2[c:34]([cH:35]1)[CH2:36][CH2:37][CH2:38]3.[C:45]([CH3:46])([CH3:47])([CH3:48])[O:49][C:50](=[O:51])[NH:52][CH2:53][C:54]#[CH:55].[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH2:20]([Li:21])[CH2:22][CH2:23][CH3:24].[CH2:61]([NH:62][CH2:63][CH3:64])[CH3:65].[Cu:75]([I:76])[I:77].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[Pd+2:70].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:26]1([C:55]#[C:54][CH2:53][NH:52][C:50]([O:49][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:51])[cH:27][c:28]2[c:29](=[O:44])[c:30]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:31][n:32]3[c:33]2[c:34]([cH:35]1)[CH2:36][CH2:37][CH2:38]3

Participants

10

Reactant 9

HCID 175Acetate2×HCID 8021DiethylamineHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 83717Copper iodideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 11073648tert-butyl N-(prop-2-yn-1-yl)carbamateHCID 57720101HCID 57720101, compoundHCID 178418339Butyllithium

Product 1

HCID 68862586HCID 68862586, compound

Sources & evidence

ORD record
ord-4b5a59894d304fa6a8879f82fc779865
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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