Acetonitrile → HCID 178500513, compound

HRID 1560893Notes

Reaction equation

HRID 1560893 reaction equation
[C:42]([C:43]([CH3:44])([CH3:45])[CH3:46])(=[O:47])[NH:48][c:49]1[n:50][c:51]([OH:61])[c:52]2[c:53]([n:54]1)[n:55][cH:56][c:57]([C:59]#[CH:60])[cH:58]2.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH3:69][C:70]#[N:71].[Cu:75]([I:76])[I:77].[F:20][c:21]1[c:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[C:33](=[O:34])[O:35][CH3:36])[cH:37][c:38]([I:41])[cH:39][cH:40]1.[Pd:72]([Cl:73])[Cl:74].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[F:20][c:21]1[c:22]([C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[C:33](=[O:34])[O:35][CH3:36])[cH:37][c:38]([C:60]#[C:59][c:57]2[cH:56][n:55][c:53]3[c:52]([c:51]([OH:61])[n:50][c:49]([NH:48][C:42]([C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[n:54]3)[cH:58]2)[cH:39][cH:40]1

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 24290Palladium ChlorideHCID 83717Copper iodideHCID 178437079HCID 178437079, compoundHCID 178500525HCID 178500525, compound

Product 1

HCID 178500513HCID 178500513, compound

Sources & evidence

ORD record
ord-120ddbecb06d49c6ac2da1bd841603ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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