1,4-Dioxane → 4-(2-Hydroxy-ethylamino)-6-(4-phenyl-piperidin-1-yl)-2-[(pyridin-3-ylmethyl)-amino]-pyrimidine-5-carbonitrile
Reaction equation
[CH2:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42].[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].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1.[c:22]1([CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[c:2]1([N:31]2[CH2:30][CH2:29][CH:28]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:33][CH2:32]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-3e28c24a2e364bb09f55aa7853664ba5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…