Acetonitrile → 1-[2-(3-Azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-[tert-butyl(diphenyl)silyl]oxypropan-1-one

HRID 673481Notes

Reaction equation

HRID 673481 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([C:8](=[O:9])[OH:10])[CH3:11])([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:82][C:83]#[N:84].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[N:57](=[N+:58]=[N-:59])[CH2:60][CH2:61][CH2:62][C:63]1([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[S:64][C:65]([c:68]2[c:69]([F:75])[cH:70][cH:71][c:72]([F:74])[cH:73]2)=[N:66][NH:67]1.[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([C:8](=[O:9])[N:67]1[C:63]([CH2:62][CH2:61][CH2:60][N:57]=[N+:58]=[N-:59])([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[S:64][C:65]([c:68]2[c:69]([F:75])[cH:70][cH:71][c:72]([F:74])[cH:73]2)=[N:66]1)[CH3:11])([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 536745122-[Tert-butyl(diphenyl)silyl]oxypropanoic acidHCID 866048312-(3-Azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-2,3-dihydro-1,3,4-thiadiazole

Product 1

HCID 1735948771-[2-(3-Azidopropyl)-5-(2,5-difluorophenyl)-2-phenyl-1,3,4-thiadiazol-3-yl]-2-[tert-butyl(diphenyl)silyl]oxypropan-1-one

Sources & evidence

ORD record
ord-534ac7010ae244cebaf4c4df1247082e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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