Acetate → HCID 3041687, compound

HRID 285512Notes

Reaction equation

HRID 285512 reaction equation
[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH2:24]=[CH:25][C:26]#[N:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[Cl:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]=[CH:9][C:10]#[N:11])[cH:12][cH:13]1.[OH:14][C:15]([c:16]1[cH:17][cH:18][c:19]([Br:20])[cH:21][cH:22]1)=[O:23].[Pd+2:61].[c:35]1([CH3:36])[cH:37][cH:38][cH:39][cH:40][c:41]1[P:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1[CH3:49])[c:50]1[cH:51][cH:52][cH:53][cH:54][c:55]1[CH3:56]>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([CH:8]=[CH:9][C:10]#[N:11])[cH:12][cH:13]1)[OH:14]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 1140TolueneHCID 7855AcrylonitrileHCID 8471TriethylamineHCID 114644-Bromobenzoic acidHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 53717999HCID 53717999, compound

Product 1

HCID 3041687HCID 3041687, compound

Sources & evidence

ORD record
ord-10ce765182654cf2a932b84b8a84e7cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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