Acetate → HCID 69216040, compound

HRID 1207336Notes

Reaction equation

HRID 1207336 reaction equation
[Br:34][c:35]1[c:36]2[cH:37][cH:38][c:39]([C:45](=[O:46])[OH:47])[cH:40][c:41]2[cH:42][cH:43][cH:44]1.[C-:64]#[N:65].[C-:67]#[N:68].[CH3:23][CH2:24][Zn:25][CH2:26][CH3:27].[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH3:48][N:49]1[CH2:50][CH2:51][CH2:52][C:53]1=[O:54].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[Pd+2:55].[Zn+2:66].[c:1]1([CH3:2])[cH:3][cH:4][cH:5][cH:6][c:7]1[P:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH3:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22]>>[c:35]1([C:48]#[N:49])[c:36]2[cH:37][cH:38][c:39]([C:45](=[O:46])[OH:47])[cH:40][c:41]2[cH:42][cH:43][cH:44]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 5975Cyanide2×HCID 8058HexaneHCID 13387N-methyl-2-pyrrolidoneHCID 32051Zinc(2+)HCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 149606465-Bromonaphthalene-2-carboxylic acidHCID 178418750HCID 178418750, compound

Product 1

HCID 69216040HCID 69216040, compound

Sources & evidence

ORD record
ord-216942b8b53745a18404a4189f05f273
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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