Acetate → 4,5-Dihydro-6-oxa-1-thia-benzo[e]azulene-9-carbonitrile

HRID 2143031Notes

Reaction equation

HRID 2143031 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[O:10][CH2:11][CH2:12][c:13]1[cH:14][s:15][cH:16][cH:17]1.[C:37](=[O:38])([O-:39])[O-:40].[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[K+:41].[K+:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[Pd+2:58].[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:2]12[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[O:10][CH2:11][CH2:12][c:13]1[c:14]-2[s:15][cH:16][cH:17]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 568341533-Bromo-4-(2-thiophen-3-yl-ethoxy)-benzonitrile

Product 1

HCID 568341544,5-Dihydro-6-oxa-1-thia-benzo[e]azulene-9-carbonitrile

Sources & evidence

ORD record
ord-0db8f725506742ccb025e9cfca15d99b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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