1,4-Dioxane → 4-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-6-(2-hydroxy-ethylamino)-2-[(pyridin-3-ylmethyl)-amino]-pyrimidine-5-carbonitrile
Reaction equation
[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[Cl:1][c:2]1[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[n:5][c:6]([NH:10][CH2:11][CH2:12][OH:13])[c:7]1[C:8]#[N:9].[F:22][c:23]1[cH:24][cH:25][c:26]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:27][cH:28]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([c:26]3[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]3)[CH2:34][CH2:33]2)[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[n:5][c:6]([NH:10][CH2:11][CH2:12][OH:13])[c:7]1[C:8]#[N:9]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-a8cffb2f6dcd4dc490891e1a46bdba23
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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