Acetate → 7-{4-[(6-Bromohexyl)oxy]butyl}thiochromane 1,1-dioxide

HRID 121271Notes

Reaction equation

HRID 121271 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][CH:11]=[CH2:12].[Br:30][c:31]1[cH:32][cH:33][c:34]2[c:39]([cH:40]1)[S:38](=[O:41])(=[O:42])[CH2:37][CH2:36][CH2:35]2.[CH:13]12[CH2:14][CH2:15][CH2:16][CH:17]([BH:18]1)[CH2:19][CH2:20][CH2:21]2.[K+:27].[K+:28].[K+:29].[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:67].[P:22]([O-:23])([O-:24])([O-:25])=[O:26].[Pd+2:68].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1>>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][CH2:11][CH2:12][c:31]1[cH:32][cH:33][c:34]2[c:39]([cH:40]1)[S:38](=[O:41])(=[O:42])[CH2:37][CH2:36][CH2:35]2

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 789669-Borabicyclo(3.3.1)nonaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 694442257-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dioneHCID 858619736-Bromohexylbut-3-enyl ether

Product 1

HCID 694461627-{4-[(6-Bromohexyl)oxy]butyl}thiochromane 1,1-dioxide

Sources & evidence

ORD record
ord-78817a655fdb42e3b2336f727ab01f57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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