Acetonitrile → 2-[4-[[7-(2-Fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-1-(5-phenylthiophen-2-yl)ethanone

HRID 291117Notes

Reaction equation

HRID 291117 reaction equation
[CH3:59][C:60]#[N:61].[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[s:49][c:50](-[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[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[s:49][c:50](-[c:53]4[cH:54][cH:55][cH:56][cH:57][cH:58]4)[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 690641277-(2-Fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxy-5,6-dihydropyrrolo[2,3-d]pyrimidineHCID 822917722-Chloro-1-(5-phenylthiophen-2-yl)ethan-1-one

Product 1

HCID 248981062-[4-[[7-(2-Fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]-1-(5-phenylthiophen-2-yl)ethanone

Sources & evidence

ORD record
ord-e81fc07bb1ec4b8fb41bdd3fa7f4ab6b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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