Acetate → 4,5-Dihydropyrido[4,3-b]thieno[2,3-d]oxepine

HRID 121056Notes

Reaction equation

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

Participants

Reactant 7

HCID 175Acetate2×

HCID 813Potassium Cation2×

HCID 6228Dimethylformamide

HCID 11776Triphenylphosphine

HCID 19660Carbonate Ion

HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

HCID 579002113-Iodo-4-(2-(thiophen-3-yl)ethoxy)pyridine

Product 1

HCID 579001994,5-Dihydropyrido[4,3-b]thieno[2,3-d]oxepine

Sources & evidence

ORD record: ord-ef5d37b1430442228421f2a3f0735243
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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