Acetate → HCID 69590004, compound

HRID 1234556Notes

Reaction equation

HRID 1234556 reaction equation
[C:43]([O:44][CH2:45][CH2:46][C:47]#[N:48])(=[O:49])[CH2:50][C:51]([CH3:52])=[O:53].[C:66]([O-:67])(=[O:68])[CH3:69].[C:71]([O-:72])(=[O:73])[CH3:74].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[C:9]([C:22](=[O:23])[O:24][CH2:25][CH2:26][C:27]#[N:28])=[C:10]([CH3:21])[NH:11][C:12]([CH3:20])=[C:13]2[C:14](=[O:15])[O:16][CH2:17][CH:18]=[CH2:19])[cH:5][cH:6][cH:7]1.[I:29][c:30]1[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH2:38][C:39]#[N:40])[cH:41][cH:42]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:75].[Pd+2:70]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[C:9]([C:22](=[O:23])[O:24][CH2:25][CH2:26][C:27]#[N:28])=[C:10]([CH3:21])[NH:11][C:12]([CH3:20])=[C:13]2[C:14](=[O:15])[O:16][CH2:17][CH:18]=[CH:19][c:30]2[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH2:37][CH2:38][C:39]#[N:40])[cH:41][cH:42]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 123604062-Cyanoethyl 3-oxobutanoateHCID 222504052-Cyanoethyl 4-iodobenzoateHCID 69590171HCID 69590171, compound

Product 1

HCID 69590004HCID 69590004, compound

Sources & evidence

ORD record
ord-c5a2900b1eb9499fb64ca3b65f750689
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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