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

HRID 1145130Notes

Reaction equation

HRID 1145130 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH2:23]([N+:24]([CH2:25][CH3:26])([CH2:27][CH3:28])[CH2:29][CH3:30])[CH3:31].[Cl-:22].[Cl:37][CH2:38][Cl:39].[I:1][c:2]1[c:3]([O:4][CH2:5][CH2:6][c:7]2[cH:8][s:9][cH:10][cH:11]2)[cH:12][cH:13][cH:14][cH:15]1.[K+:20].[K+:21].[O-:41][C:42]([CH3:43])=[O:44].[O-:45][C:46]([CH3:47])=[O:48].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[Pd+2:40]>>[c:2]12[c:3]([cH:12][cH:13][cH:14][cH:15]1)[O:4][CH2:5][CH2:6][c:7]1[c:8]-2[s:9][cH:10][cH:11]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 813Potassium Cation2×HCID 5413TetraethylammoniumHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 640847853-(2-(2-Iodophenoxy)ethyl)thiophene

Product 1

HCID 579001554,5-Dihydrobenzo[b]thieno[2,3-d]oxepine

Sources & evidence

ORD record
ord-972e306fe4924d12ba83483bc8920173
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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