Acetonitrile → HCID 58025765, compound

HRID 1573802Notes

Reaction equation

HRID 1573802 reaction equation
[CH3:44][CH2:45][CH2:46][CH2:47][N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60].[CH3:61][O:62][C:63]([c:64]1[cH:65][c:66]([CH2:70][Br:71])[cH:67][cH:68][cH:69]1)=[O:72].[CH3:73][C:74]#[N:75].[F-:43].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:32](=[O:33])[c:34]3[c:35]([F:42])[cH:36][c:37]([F:41])[cH:38][c:39]3[F:40])[CH:11]([c:13]3[c:14]([O:30][CH3:31])[c:15]([O:19][Si:20]([CH:21]([CH3:22])[CH3:23])([CH:24]([CH3:25])[CH3:26])[CH:27]([CH3:28])[CH3:29])[cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[N:9][N:10]([C:32](=[O:33])[c:34]3[c:35]([F:42])[cH:36][c:37]([F:41])[cH:38][c:39]3[F:40])[CH:11]([c:13]3[c:14]([O:30][CH3:31])[c:15]([O:19][CH2:70][c:66]4[cH:65][c:64]([C:63]([O:62][CH3:61])=[O:72])[cH:69][cH:68][cH:67]4)[cH:16][cH:17][cH:18]3)[S:12]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 517981Methyl 3-(bromomethyl)benzoateHCID 67279300HCID 67279300, compound

Product 1

HCID 58025765HCID 58025765, compound

Sources & evidence

ORD record
ord-96f91e4d8ed24548b7ed558a16e4d59f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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