Chloride → 3-[4-(Pyridin-2-yl-oxy)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester
Reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH:31]2[CH:32]=[C:33]([O:38][S:39]([C:40]([F:41])([F:42])[F:43])(=[O:44])=[O:45])[CH2:34][CH:35]1[CH2:36][CH2:37]2.[CH3:137][CH2:138][O:139][C:140](=[O:141])[CH3:142].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([O:13][c:14]3[n:15][cH:16][cH:17][cH:18][cH:19]3)[cH:20][cH:21]2)[O:22]1.[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[Cl-:47].[K+:48].[K+:49].[Li+:46].[O-:50][C:51]([O-:52])=[O:53].[Pd:60].[c:118]1([P:119]([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133][cH:134][cH:135][cH:136]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[c:9]1([C:33]2=[CH:32][CH:31]3[N:30]([C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH:35]([CH2:34]2)[CH2:36][CH2:37]3)[cH:10][cH:11][c:12]([O:13][c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[cH:20][cH:21]1Participants
11
Reactant 10
HCID 312Chloride
HCID 813Potassium Cation2×
HCID 80711,2-Dimethoxyethane
HCID 8857Ethyl Acetate
HCID 11776Triphenylphosphine4×
HCID 19660Carbonate Ion
HCID 23938Palladium
HCID 28486Lithium ion
HCID 226480948-Boc-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-3-ene
HCID 672487012-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridineProduct 1
Sources & evidence
- ORD record
- ord-635e7b1729e94eddac868a85c121d346
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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