Acetate → 1-(2-{4-[2-(3,5-Difluoro-phenyl)-6-methoxy-naphthalen-1-yloxy]-phenoxy}-ethyl)-azepane
Reaction equation
[BH:40]([OH:41])[OH:42].[C:73]([O-:74])(=[O:75])[CH3:76].[C:78]([O-:79])(=[O:80])[CH3:81].[CH3:70][C:71]#[N:72].[CH:51]1([P:52]([CH:53]2[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]2)[CH:59]2[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]2)[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Cs+:39].[F-:38].[F:43][c:44]1[cH:45][c:46]([F:50])[cH:47][cH:48][cH:49]1.[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([O:28][S:29]([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35])[cH:18][cH:19][c:20]4[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][c:25]34)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Pd+2:77]>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17](-[c:48]4[cH:47][c:46]([F:50])[cH:45][c:44]([F:43])[cH:49]4)[cH:18][cH:19][c:20]4[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][c:25]34)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1Participants
10
Reactant 9
HCID 175Acetate2×
HCID 6342Acetonitrile
HCID 97411,3-Difluorobenzene
HCID 28179Fluoride Ion
HCID 61668Boronic Acid
HCID 75806Tricyclohexylphosphine
HCID 104967Cesium cation
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 57552539Trifluoromethanesulfonic acid 1-[4-(2-azepan-1-yl-ethoxy)-phenoxy]-6-methoxy-naphthalen-2-yl esterProduct 1
Sources & evidence
- ORD record
- ord-38707b9949a443379e8fa63d2a7161ce
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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