Tetrabutylammonium → [5-(4-Fluoro-phenyl)-2-(2-hydroxy-phenyl)-[1,3,4]thiadiazol-3-yl]-(2,4,6-trifluoro-phenyl)-methanone

HRID 2144976Notes

Reaction equation

HRID 2144976 reaction equation
[CH3:84][CH2:85][CH2:86][CH2:87][N+:88]([CH2:89][CH2:90][CH2:91][CH3:92])([CH2:93][CH2:94][CH2:95][CH3:96])[CH2:97][CH2:98][CH2:99][CH3:100].[F-:83].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:30](=[O:31])[c:32]3[c:33]([F:40])[cH:34][c:35]([F:39])[cH:36][c:37]3[F:38])[CH:11]([c:13]3[c:14]([O:19][Si:20]([CH:21]([CH3:22])[CH3:23])([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[cH:15][cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1.[F:41][c:42]1[cH:43][cH:44][c:45]([C:46]2=[N:80][N:68]([C:69]([c:70]3[c:71]([F:72])[cH:73][c:74]([F:75])[cH:76][c:77]3[F:78])=[O:79])[CH:48]([c:49]3[cH:50][cH:51][cH:52][c:53]([O:54][CH3:55])[c:56]3[O:57][Si:58]([CH:59]([CH3:60])[CH3:61])([CH:62]([CH3:63])[CH3:64])[CH:65]([CH3:66])[CH3:67])[S:47]2)[cH:81][cH:82]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:30](=[O:31])[c:32]3[c:33]([F:40])[cH:34][c:35]([F:39])[cH:36][c:37]3[F:38])[CH:11]([c:13]3[c:14]([OH:19])[cH:15][cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 67279624[5-(4-Fluoro-phenyl)-2-(2-triisopropylsilanyloxy-phenyl)-[1,3,4]thiadiazol-3-yl]-(2,4,6-trifluoro-phenyl)-methanoneHCID 67279689[5-(4-Fluoro-phenyl)-2-(3-methoxy-2-triisopropylsilanyloxy-phenyl)-[1,3,4]thiadiazol-3-yl]-(2,4,6-trifluoro-phenyl)-methanone

Product 1

HCID 67279311[5-(4-Fluoro-phenyl)-2-(2-hydroxy-phenyl)-[1,3,4]thiadiazol-3-yl]-(2,4,6-trifluoro-phenyl)-methanone

Sources & evidence

ORD record
ord-c68d3d9684f84113b14eace50e1eea7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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