Acetate → Methyl3-(2-cyanobenzo[b]thiophen-5-yl)acrylate

HRID 167851Notes

Reaction equation

HRID 167851 reaction equation
[C:14](#[N:15])[c:16]1[cH:17][c:18]2[c:19]([s:20]1)[cH:21][cH:22][c:23]([I:25])[cH:24]2.[C:1]([CH:2]=[CH2:3])(=[O:4])[O:5][CH3:6].[C:32]([O-:33])(=[O:34])[CH3:35].[C:37]([O-:38])(=[O:39])[CH3:40].[CH3:7][CH2:8][N:9]([CH2:10][CH3:11])[CH2:12][CH3:13].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:26].[Pd+2:36]>>[C:1]([CH:2]=[CH:3][c:23]1[cH:22][cH:21][c:19]2[c:18]([cH:17][c:16]([C:14]#[N:15])[s:20]2)[cH:24]1)(=[O:4])[O:5][CH3:6]

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7294Methyl AcrylateHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 187029595-Iodobenzo[b]thiophene-2-carbonitrile

Product 1

HCID 54151697Methyl3-(2-cyanobenzo[b]thiophen-5-yl)acrylate

Sources & evidence

ORD record
ord-ac143b7b4add43bba8c7b3e1d322c504
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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