Potassium Cation → 2-[5-Fluoro-2-methoxy-3-(2-methoxyethenyl)phenyl]-5-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
Reaction equation
[Br:1][c:2]1[s:3][c:4](-[c:7]2[cH:8][c:9]([C:17]([F:18])([F:19])[F:20])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:5][n:6]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[F:21][c:22]1[cH:23][c:24]([CH:39]=[CH:40][O:41][CH3:42])[c:25]([O:37][CH3:38])[c:26]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:27]1.[K+:48].[K+:49].[K+:50].[OH2:56].[P:43]([O-:44])([O-:45])([O-:46])=[O:47].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([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]1>>[c:2]1(-[c:26]2[c:25]([O:37][CH3:38])[c:24]([CH:39]=[CH:40][O:41][CH3:42])[cH:23][c:22]([F:21])[cH:27]2)[s:3][c:4](-[c:7]2[cH:8][c:9]([C:17]([F:18])([F:19])[F:20])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:5][n:6]1Participants
8
Reactant 7
HCID 813Potassium Cation3×
HCID 962Water
HCID 1061Phosphate
HCID 6228Dimethylformamide
HCID 669817782-Bromo-5-[4-[(1-methylethyl)oxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
HCID 669817992-[5-Fluoro-2-methoxy-3-(2-methoxyethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-edc76323584e4a18a96fb97720575520
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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