Sodium ion → 3-[2-Methyl-5-nitro-6-(3-pyridin-2-ylpropoxy)pyrimidin-4-yl]-1,2,4,5-tetrahydro-3-benzazepine
Reaction equation
[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:1][c:2]1[c:3]([N+:20](=[O:21])[O-:22])[c:4]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[n:7]1.[H-:33].[Na+:34].[n:23]1[c:24]([CH2:29][CH2:30][CH2:31][OH:32])[cH:25][cH:26][cH:27][cH:28]1>>[c:2]1([O:32][CH2:31][CH2:30][CH2:29][c:24]2[n:23][cH:28][cH:27][cH:26][cH:25]2)[c:3]([N+:20](=[O:21])[O-:22])[c:4]([N:9]2[CH2:10][CH2:11][c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[CH2:14][CH2:15]2)[n:5][c:6]([CH3:8])[n:7]1Participants
6
Sources & evidence
- ORD record
- ord-45caa5492c6f468dbfde16612ea6ac17
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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