Acetonitrile → HCID 24898105, compound

HRID 1553817Notes

Reaction equation

HRID 1553817 reaction equation
[CH3:54][C:55]#[N:56].[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:44][CH2:45][C:46](=[O:47])[c:48]1[n:49]([CH3:53])[cH:50][cH:51][cH:52]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[F:8][c:9]1[c:10]([N:19]2[CH2:20][CH2:21][c:22]3[c:23]2[n:24][cH:25][n:26][c:27]3[O:28][CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:11][cH:12][c:13]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:14]1>>[F:8][c:9]1[c:10]([N:19]2[CH2:20][CH2:21][c:22]3[c:23]2[n:24][cH:25][n:26][c:27]3[O:28][CH:29]2[CH2:30][CH2:31][N:32]([CH2:45][C:46](=[O:47])[c:48]3[n:49]([CH3:53])[cH:50][cH:51][cH:52]3)[CH2:33][CH2:34]2)[cH:11][cH:12][c:13]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:14]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 25124042-Chloro-1-(1-methyl-1H-pyrrol-2-yl)-ethanoneHCID 690641277-(2-Fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidine

Product 1

HCID 24898105HCID 24898105, compound

Sources & evidence

ORD record
ord-c792007874a24465aa29b1669788edac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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